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

C13H13ClN4O — CID 78954355

IUPAC2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccnc(C)c2)cc(Cl)n1
InChIInChI=1S/C13H13ClN4O/c1-8-5-10(3-4-16-8)17-13(19)9-6-11(14)18-12(7-9)15-2/h3-7H,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyQRUOFTOSLBZKCT-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.73
Rot. Bonds3

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

2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide (PubChem CID 78954355) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
PubChem CID78954355
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2ccnc(C)c2)cc(Cl)n1
InChIInChI=1S/C13H13ClN4O/c1-8-5-10(3-4-16-8)17-13(19)9-6-11(14)18-12(7-9)15-2/h3-7H,1-2H3,(H,15,18)(H,16,17,19)
InChIKeyQRUOFTOSLBZKCT-UHFFFAOYSA-N
XLogP2.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 79240155
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
2-chloro-N-(4-fluoro-3-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62811586
4-(methylamino)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240980
2-chloro-N-(3-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62167485
N-(4-bromo-3-fluorophenyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 65437023
2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 62186084
2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 62167550
2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166263
2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 66255648
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 79048306
3-bromo-4-chloro-N-(2-methyl-4-pyridinyl)benzamide
CID 110678414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide (CID 78954355) is 2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2ccnc(C)c2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide?
The InChIKey is QRUOFTOSLBZKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8-5-10(3-4-16-8)17-13(19)9-6-11(14)18-12(7-9)15-2/h3-7H,1-2H3,(H,15,18)(H,16,17,19).
What are the key properties of 2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide?
2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 78954355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).