Picotamide

CAT: 0127-BUP03238-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03238-05Size:100 mg

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CAS Number

32828-81-2

Purity

=98%

Smiles

COc1ccc(cc1C(=O)NCc1cccnc1)C(=O)NCc1cccnc1

Chemical Information

Picotamide

4-methoxy-N1,N3-bis(3-pyridinylmethyl)benzene-1,3-dicarboxamide is a member of benzamides.

CAS Number	32828-81-2
PubChem CID	4814
IUPAC Name	4-methoxy-1-N,3-N-bis(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
Molecular Formula	C21H20N4O3
Molecular Weight	376.4
XLogP	1.3
Topological Polar Surface Area	93.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	516

SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CN=CC=C2)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H20N4O3/c1-28-19-7-6-17(20(26)24-13-15-4-2-8-22-11-15)10-18(19)21(27)25-14-16-5-3-9-23-12-16/h2-12H,13-14H2,1H3,(H,24,26)(H,25,27)

InChIKey

KYWCWBXGRWWINE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32828-81-2

CID: 4814

Formula: C21H20N4O3

MW: 376.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	376.4
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	376.15354051
Monoisotopic Mass	376.15354051
Topological Polar Surface Area	93.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	516
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

Catalog	Name
BUP19240	Picolamine

Catalog	Name
FP146861-01	Picotamide
RM-P091700-01	Picotamide Monohydrate
HY-B1735A	Picotamide (monohydrate)
RM-P091701-01	Picotamide Monohydrate EP Impurity A
RM-P091703-01	Picotamide Monohydrate EP Impurity C
RM-P091702-01	Picotamide Monohydrate EP Impurity B
TBI3925-10MG	Picotamide, TXA2 receptors and synthase inhibitor
RM-P091704-01	Picotamide Monohydrate EP Impurity D