2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide

C16H18ClN3O — CID 62186084

IUPAC2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2c(C)cc(C)cc2C)cc(Cl)n1
InChIInChI=1S/C16H18ClN3O/c1-9-5-10(2)15(11(3)6-9)20-16(21)12-7-13(17)19-14(8-12)18-4/h5-8H,1-4H3,(H,18,19)(H,20,21)
InChIKeyZYNKKONSGXDLBX-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.95
Rot. Bonds3

About 2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide

2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide (PubChem CID 62186084) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
PubChem CID62186084
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2c(C)cc(C)cc2C)cc(Cl)n1
InChIInChI=1S/C16H18ClN3O/c1-9-5-10(2)15(11(3)6-9)20-16(21)12-7-13(17)19-14(8-12)18-4/h5-8H,1-4H3,(H,18,19)(H,20,21)
InChIKeyZYNKKONSGXDLBX-UHFFFAOYSA-N
XLogP3.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 66255648
2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 103587266
2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166263
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
2-chloro-N-(4-fluoro-3-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62811586
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
2-chloro-6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-4-carboxamide
CID 78954355
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 79048306
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide
CID 107603438
2-chloro-N-(2-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62185758
2-chloro-N-(3-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62167485
2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166988

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide (CID 62186084) is 2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2c(C)cc(C)cc2C)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
The InChIKey is ZYNKKONSGXDLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-9-5-10(2)15(11(3)6-9)20-16(21)12-7-13(17)19-14(8-12)18-4/h5-8H,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide?
2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(methylamino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 62186084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).