2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide

C15H15ClN2O2 — CID 4862032

IUPAC2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)cc(C)nc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-9-8-10(2)17-14(16)13(9)15(19)18-11-4-6-12(20-3)7-5-11/h4-8H,1-3H3,(H,18,19)
InChIKeyHAVKXYGPYKPADD-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.61
Rot. Bonds3

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

2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide (PubChem CID 4862032) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
PubChem CID4862032
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(C)cc(C)nc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c1-9-8-10(2)17-14(16)13(9)15(19)18-11-4-6-12(20-3)7-5-11/h4-8H,1-3H3,(H,18,19)
InChIKeyHAVKXYGPYKPADD-UHFFFAOYSA-N
XLogP3.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.61
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

2-chloro-N-(4-chlorophenyl)-4,6-dimethylpyridine-3-carboxamide
CID 4862033
2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 23609883
N-(4-methoxyphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110860112
5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
N-(4-methoxyphenyl)-4-(2,4,6-trimethylbenzoyl)benzamide
CID 1068398
3,4,5,6-tetrachloro-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 26086305
2-(2-chloro-4,6-dimethylanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337373
N-(4-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334759
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
N-(4-methoxyphenyl)anthracene-9-carboxamide
CID 86045651
N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329281

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide (CID 4862032) is 2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide is COc1ccc(NC(=O)c2c(C)cc(C)nc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is HAVKXYGPYKPADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-8-10(2)17-14(16)13(9)15(19)18-11-4-6-12(20-3)7-5-11/h4-8H,1-3H3,(H,18,19).
What are the key properties of 2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide?
2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 4862032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).