N, N-Diethylnicotinamide

CAT: 0127-OR926552-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0127-OR926552-01Size:100 g

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CAS Number

59-26-7

MDL Number

MFCD00006386

Purity

97%

Smiles

CCN(CC)C(=O)c1cccnc1

Chemical Information

N,N-Diethylnicotinamide

Nikethamide is a pyridinecarboxamide. It is functionally related to a nicotinamide.

CAS Number	59-26-7
PubChem CID	5497
IUPAC Name	N,N-diethylpyridine-3-carboxamide
Molecular Formula	C10H14N2O
Molecular Weight	178.23
XLogP	0.3
Topological Polar Surface Area	33.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	166

SMILES

CCN(CC)C(=O)C1=CN=CC=C1

InChI

InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3

InChIKey

NCYVXEGFNDZQCU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59-26-7

CID: 5497

Formula: C10H14N2O

MW: 178.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.23
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	178.110613074
Monoisotopic Mass	178.110613074
Topological Polar Surface Area	33.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	166
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
sc-250508A	N, N-Diethylnicotinamide
459840-01	N, N-Diethylnicotinamide (Nikethamide)
TRC-N460000-10G	N,N-Diethylnicotinamide (Nikethamide)
D23835-01	N, N-Diethylnicotinamide 98%
AR-N08590-01	N, N-Diethylnicotinamide (Nikethamide) N'-oxide
35114958-100g	N, N-Diethylnicotinamide (Nikethamide Ph.Eur)
OH153454-01	N, N', N'', N''', N'''', N''''', N''''''-Heptaacetylchitoheptaose
297193-01	N, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
TRC-H290750-10MG	N,N’,N’’,N’’’,N’’’’,N’’’’’-Hexaacetylchitohexaose
FH171463-01	N, N, N', N', N'', N''-Hexamethoxymethylmelamine