4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide

C14H10ClN3O — CID 114003049

IUPAC4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnccc2Cl)c1C#N
InChIInChI=1S/C14H10ClN3O/c1-9-3-2-4-13(10(9)7-16)18-14(19)11-8-17-6-5-12(11)15/h2-6,8H,1H3,(H,18,19)
InChIKeySBNVOTUZFYGBKV-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.17
Rot. Bonds2

About 4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide

4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide (PubChem CID 114003049) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
PubChem CID114003049
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnccc2Cl)c1C#N
InChIInChI=1S/C14H10ClN3O/c1-9-3-2-4-13(10(9)7-16)18-14(19)11-8-17-6-5-12(11)15/h2-6,8H,1H3,(H,18,19)
InChIKeySBNVOTUZFYGBKV-UHFFFAOYSA-N
XLogP3.17
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 107801317
N-(2-cyano-3-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 107799224
N-(2-cyano-3-methylphenyl)-4-iodobenzamide
CID 113241623
3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
CID 66462249
4-chloro-N-(3-fluoro-2-iodophenyl)pyridine-3-carboxamide
CID 114258700
5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107801438
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464
N-(2-chloro-3-methylphenyl)-3-hydroxypyridine-4-carboxamide
CID 114251337
6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107800327
N-(2-cyano-3-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 114003192
N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 107799217
3-amino-N-(2-cyano-3-methylphenyl)-2-hydroxybenzamide
CID 107802431

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide (CID 114003049) is 4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cnccc2Cl)c1C#N.
What is the InChIKey of 4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is SBNVOTUZFYGBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c1-9-3-2-4-13(10(9)7-16)18-14(19)11-8-17-6-5-12(11)15/h2-6,8H,1H3,(H,18,19).
What are the key properties of 4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide?
4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 271.71 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 114003049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).