N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide

C15H14ClN3O2 — CID 62235289

IUPACN-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cccc(Cl)n2)ccc1C
InChIInChI=1S/C15H14ClN3O2/c1-9-6-7-11(8-13(9)17-10(2)20)18-15(21)12-4-3-5-14(16)19-12/h3-8H,1-2H3,(H,17,20)(H,18,21)
InChIKeyOBKNUUXOCWCUBP-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.25
Rot. Bonds3

About N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide

N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide (PubChem CID 62235289) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide
PubChem CID62235289
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cccc(Cl)n2)ccc1C
InChIInChI=1S/C15H14ClN3O2/c1-9-6-7-11(8-13(9)17-10(2)20)18-15(21)12-4-3-5-14(16)19-12/h3-8H,1-2H3,(H,17,20)(H,18,21)
InChIKeyOBKNUUXOCWCUBP-UHFFFAOYSA-N
XLogP3.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.25
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

6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 63327625
6-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100172
N-(4-acetamido-3-methylphenyl)-6-fluoropyridine-2-carboxamide
CID 115497151
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559
N-(5-acetamido-2-methylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803621
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924
2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100408
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
6-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 103874038
6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide
CID 62234890
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide (CID 62235289) is N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide is CC(=O)Nc1cc(NC(=O)c2cccc(Cl)n2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide?
The InChIKey is OBKNUUXOCWCUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-9-6-7-11(8-13(9)17-10(2)20)18-15(21)12-4-3-5-14(16)19-12/h3-8H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide?
N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide is sourced from PubChem (CID 62235289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).