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

C15H16ClN3O — CID 62175591

IUPAC2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)c2cccc(C)c2)cc(Cl)n1
InChIInChI=1S/C15H16ClN3O/c1-10-5-4-6-12(7-10)19(3)15(20)11-8-13(16)18-14(9-11)17-2/h4-9H,1-3H3,(H,17,18)
InChIKeyDAOXTJSJRQDCHJ-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.36
Rot. Bonds3

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

2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide (PubChem CID 62175591) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide
PubChem CID62175591
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(C)c2cccc(C)c2)cc(Cl)n1
InChIInChI=1S/C15H16ClN3O/c1-10-5-4-6-12(7-10)19(3)15(20)11-8-13(16)18-14(9-11)17-2/h4-9H,1-3H3,(H,17,18)
InChIKeyDAOXTJSJRQDCHJ-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(methylamino)-N-(3-methylphenyl)benzamide
CID 62175593
2-chloro-N-(2-fluorophenyl)-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 62175854
2-chloro-N-methyl-6-(methylamino)-N-pyridin-2-ylpyridine-4-carboxamide
CID 62172641
2-chloro-6-hydrazinyl-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 62249266
2-chloro-N-(3-fluorophenyl)-N,6-dimethylpyridine-4-carboxamide
CID 113378414
2-chloro-N-methyl-N-phenyl-6-(propylamino)pyridine-4-carboxamide
CID 62172549
2-chloro-N-[(3-hydroxyphenyl)methyl]-N-methyl-6-(methylamino)pyridine-4-carboxamide
CID 56805111
2-chloro-N-methyl-6-(methylamino)-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 56805118
3-hydroxy-4-methoxy-N-methyl-N-(3-methylphenyl)benzamide
CID 79726183
2-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 62169933
N-methyl-N-(3-methylphenyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498309
2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 66255648

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide (CID 62175591) is 2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide is CNc1cc(C(=O)N(C)c2cccc(C)c2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide?
The InChIKey is DAOXTJSJRQDCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-10-5-4-6-12(7-10)19(3)15(20)11-8-13(16)18-14(9-11)17-2/h4-9H,1-3H3,(H,17,18).
What are the key properties of 2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide?
2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-6-(methylamino)-N-(3-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 62175591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).