2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide

C15H16ClN3O — CID 698494

IUPAC2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C15H16ClN3O/c1-8-7-9(2)18-15(13(8)14(17)20)19-12-6-4-5-11(16)10(12)3/h4-7H,1-3H3,(H2,17,20)(H,18,19)
InChIKeyKUQYBCUSNOPCOH-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.50
Rot. Bonds3

About 2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide

2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 698494) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide
PubChem CID698494
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(Nc2cccc(Cl)c2C)n1
InChIInChI=1S/C15H16ClN3O/c1-8-7-9(2)18-15(13(8)14(17)20)19-12-6-4-5-11(16)10(12)3/h4-7H,1-3H3,(H2,17,20)(H,18,19)
InChIKeyKUQYBCUSNOPCOH-UHFFFAOYSA-N
XLogP3.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-Chloro-4-hydroxy-2-phenyl-1,8-naphthyridine
CID 6105572
2-(4-Ethyl-phenylamino)-4,6-dimethyl-nicotinamide
CID 712047
2-(2-chloro-6-fluorophenyl)-N-(6-methylpyridin-2-yl)acetamide
CID 841917
3-chloro-N-(6-methylpyridin-2-yl)benzamide
CID 835261
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinamide
CID 686880
2-{[(2-Chloroanilino)carbonyl]amino}-4,6-dimethylnicotinamide
CID 3765547
2-[(Anilinocarbonyl)amino]-4,6-dimethylnicotinamide
CID 4362481
2-(4-Chloro-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one
CID 5468912
2-(3-Chloro-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one
CID 5468914
2-(3-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468915
6-(3-chloroanilino)-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570165
6-(3-chloroanilino)-N-(2,2-dimethylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44570166

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide (CID 698494) is 2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(Nc2cccc(Cl)c2C)n1.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is KUQYBCUSNOPCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-8-7-9(2)18-15(13(8)14(17)20)19-12-6-4-5-11(16)10(12)3/h4-7H,1-3H3,(H2,17,20)(H,18,19).
What are the key properties of 2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide?
2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 698494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).