2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide

C15H12ClN3O2 — CID 104848528

IUPAC2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C15H12ClN3O2/c1-9-5-11(7-14(16)18-9)15(20)19-12-4-3-10(8-17)6-13(12)21-2/h3-7H,1-2H3,(H,19,20)
InChIKeyJZEDGRXHWILAKX-UHFFFAOYSA-N
MW301.73 g/mol
LogP3.18
Rot. Bonds3

About 2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide

2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide (PubChem CID 104848528) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
PubChem CID104848528
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide
SMILESCOc1cc(C#N)ccc1NC(=O)c1cc(C)nc(Cl)c1
InChIInChI=1S/C15H12ClN3O2/c1-9-5-11(7-14(16)18-9)15(20)19-12-4-3-10(8-17)6-13(12)21-2/h3-7H,1-2H3,(H,19,20)
InChIKeyJZEDGRXHWILAKX-UHFFFAOYSA-N
XLogP3.18
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
N-(4-cyano-2-methoxyphenyl)-4-hydrazinylbenzamide
CID 104850045
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
CID 113460384
N-(4-cyano-2-methoxyphenyl)-3,4-difluorobenzamide
CID 104848992
5-bromo-N-(4-cyano-2-methoxyphenyl)pyridine-3-carboxamide
CID 104849115
2-amino-N-(4-cyano-2-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 104848874
N-(4-cyano-2-methoxyphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 104850047
N-(4-cyano-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114343595
3-bromo-N-(4-cyano-2-methoxyphenyl)-4-fluorobenzamide
CID 104854951
N-(5-cyano-2-methoxyphenyl)pyridine-4-carboxamide
CID 49183025
N-(4-cyano-2-methoxyphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 104848980

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide (CID 104848528) is 2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide is COc1cc(C#N)ccc1NC(=O)c1cc(C)nc(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide?
The InChIKey is JZEDGRXHWILAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-9-5-11(7-14(16)18-9)15(20)19-12-4-3-10(8-17)6-13(12)21-2/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide?
2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide has a molecular weight of 301.73 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyano-2-methoxyphenyl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 104848528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).