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INOS inhibitor 12

CAT: 1410-M13822Size: 1 EachDry Ice: NoHazardous: No
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Description
INOS inhibitor 12 is a potent, highly selective iNOS inhibitor with IC50 of 79 nM.
CAS Number
268730-08-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
336.395
Molecular Formula
C19H20N4O2
Notes
Research use only, not for human use.
Receptor
NOS

Chemical Information

4-((4-((4-Methoxypyridin-2-yl)amino)piperidin-1-yl)carbonyl)benzonitrile

4-[[4-[(4-methoxy-2-pyridinyl)amino]-1-piperidinyl]-oxomethyl]benzonitrile is a member of benzamides and a N-acylpiperidine.

CAS Number268730-08-1
PubChem CID9797857
IUPAC Name4-[4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carbonyl]benzonitrile
Molecular FormulaC19H20N4O2
Molecular Weight336.4
XLogP2.6
Topological Polar Surface Area78.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity487
SMILES
COC1=CC(=NC=C1)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C19H20N4O2/c1-25-17-6-9-21-18(12-17)22-16-7-10-23(11-8-16)19(24)15-4-2-14(13-20)3-5-15/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,21,22)
InChIKey
SZUVGMCKKLJAFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((4-((4-Methoxypyridin-2-yl)amino)piperidin-1-yl)carbonyl)benzonitrile
CAS: 268730-08-1
CID: 9797857
Formula: C19H20N4O2
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass336.15862589
Monoisotopic Mass336.15862589
Topological Polar Surface Area78.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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