4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide

C15H12ClN3O — CID 81226761

IUPAC4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2cc(C#N)ccc2C)cn1
InChIInChI=1S/C15H12ClN3O/c1-9-3-4-11(7-17)6-14(9)19-15(20)12-8-18-10(2)5-13(12)16/h3-6,8H,1-2H3,(H,19,20)
InChIKeyXUJUWEKNEIVQGW-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.48
Rot. Bonds2

About 4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide

4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 81226761) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
PubChem CID81226761
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(Cl)c(C(=O)Nc2cc(C#N)ccc2C)cn1
InChIInChI=1S/C15H12ClN3O/c1-9-3-4-11(7-17)6-14(9)19-15(20)12-8-18-10(2)5-13(12)16/h3-6,8H,1-2H3,(H,19,20)
InChIKeyXUJUWEKNEIVQGW-UHFFFAOYSA-N
XLogP3.48
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 81245335
2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide
CID 114922463
3-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 81228538
4-chloro-N-(5-chloro-2-cyanophenyl)-6-methylpyridine-3-carboxamide
CID 81226633
5-bromo-2-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475858
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide
CID 106551252
N-(5-cyano-2-methylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063446
N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385118
4-chloro-N-(3-iodo-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226857

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide (CID 81226761) is 4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide is Cc1cc(Cl)c(C(=O)Nc2cc(C#N)ccc2C)cn1.
What is the InChIKey of 4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is XUJUWEKNEIVQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-3-4-11(7-17)6-14(9)19-15(20)12-8-18-10(2)5-13(12)16/h3-6,8H,1-2H3,(H,19,20).
What are the key properties of 4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide?
4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81226761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).