4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide

C15H13N3O — CID 46899355

IUPAC4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C#N)cc(C)n2)c1
InChIInChI=1S/C15H13N3O/c1-10-4-3-5-13(6-10)18-15(19)14-8-12(9-16)7-11(2)17-14/h3-8H,1-2H3,(H,18,19)
InChIKeyXYMYJWCMBDSNLI-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.82
Rot. Bonds2

About 4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide

4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 46899355) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID46899355
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C#N)cc(C)n2)c1
InChIInChI=1S/C15H13N3O/c1-10-4-3-5-13(6-10)18-15(19)14-8-12(9-16)7-11(2)17-14/h3-8H,1-2H3,(H,18,19)
InChIKeyXYMYJWCMBDSNLI-UHFFFAOYSA-N
XLogP2.82
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-6-methyl-N-(2-methylphenyl)pyridine-2-carboxamide
CID 68787568
2-anilino-N-(3-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334617
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
N-(3-cyanophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321717
N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
N-(3-acetylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224356
N-(3-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47300067
2-(3-bromoanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109335028
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303
2-(3-acetylanilino)-N-(4-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337811
6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334971

Frequently Asked Questions

What is the IUPAC name of 4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide (CID 46899355) is 4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2cc(C#N)cc(C)n2)c1.
What is the InChIKey of 4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is XYMYJWCMBDSNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-4-3-5-13(6-10)18-15(19)14-8-12(9-16)7-11(2)17-14/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide?
4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-6-methyl-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 46899355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).