2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide

C14H13ClN2O2 — CID 61072257

IUPAC2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2Cl)cc1C
InChIInChI=1S/C14H13ClN2O2/c1-9-8-10(5-6-12(9)19-2)17-14(18)11-4-3-7-16-13(11)15/h3-8H,1-2H3,(H,17,18)
InChIKeyNINZURPIAFMROT-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.30
Rot. Bonds3

About 2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide

2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide (PubChem CID 61072257) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
PubChem CID61072257
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2Cl)cc1C
InChIInChI=1S/C14H13ClN2O2/c1-9-8-10(5-6-12(9)19-2)17-14(18)11-4-3-7-16-13(11)15/h3-8H,1-2H3,(H,17,18)
InChIKeyNINZURPIAFMROT-UHFFFAOYSA-N
XLogP3.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.30
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-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342
2-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide;6-chloro-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 87509097
4-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 81227052
2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 60722571
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
CID 115376771
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyridine-3-carboxamide
CID 115588705
2-chloro-N-[3-[5-(hydroxymethyl)furan-2-yl]-4-methoxyphenyl]pyridine-3-carboxamide
CID 28675349
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26901535
N-(3,4-dimethoxyphenyl)-2-methoxypyridine-3-carboxamide
CID 84580737
2-hydrazinyl-N-(4-methoxy-3-methylphenyl)benzamide
CID 62236085
5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide
CID 61073474

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide (CID 61072257) is 2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2Cl)cc1C.
What is the InChIKey of 2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is NINZURPIAFMROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-8-10(5-6-12(9)19-2)17-14(18)11-4-3-7-16-13(11)15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide?
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 3.30, 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-methoxy-3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 61072257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).