N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide

C14H11N3O2 — CID 107799217

IUPACN-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(O)c2)c1C#N
InChIInChI=1S/C14H11N3O2/c1-9-3-2-4-13(12(9)6-15)17-14(19)10-5-11(18)8-16-7-10/h2-5,7-8,18H,1H3,(H,17,19)
InChIKeyOGDOKFKEPCETRY-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.22
Rot. Bonds2

About N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide

N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide (PubChem CID 107799217) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide
PubChem CID107799217
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC NameN-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cncc(O)c2)c1C#N
InChIInChI=1S/C14H11N3O2/c1-9-3-2-4-13(12(9)6-15)17-14(19)10-5-11(18)8-16-7-10/h2-5,7-8,18H,1H3,(H,17,19)
InChIKeyOGDOKFKEPCETRY-UHFFFAOYSA-N
XLogP2.22
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyano-3-methylphenyl)-3-hydroxybenzamide
CID 107799227
N-(2-cyano-3-methylphenyl)-4-iodobenzamide
CID 113241623
5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107801438
N-(2-cyano-3-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 114003192
6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107800327
4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
CID 114003049
N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 107801443
N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 107799224
4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
CID 107802373
N-(2-chloro-4-cyanophenyl)-5-hydroxypyridine-3-carboxamide
CID 107808799
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
5-hydroxy-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63865627

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide (CID 107799217) is N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide is Cc1cccc(NC(=O)c2cncc(O)c2)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide?
The InChIKey is OGDOKFKEPCETRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-3-2-4-13(12(9)6-15)17-14(19)10-5-11(18)8-16-7-10/h2-5,7-8,18H,1H3,(H,17,19).
What are the key properties of N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide?
N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 107799217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).