N-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide

C13H13N3O2 — CID 114040045

IUPACN-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(=O)[nH]2)ccc1N
InChIInChI=1S/C13H13N3O2/c1-8-7-9(5-6-10(8)14)15-13(18)11-3-2-4-12(17)16-11/h2-7H,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyITCBCHYOFDLEQR-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.52
Rot. Bonds2

About N-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide

N-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 114040045) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID114040045
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(=O)[nH]2)ccc1N
InChIInChI=1S/C13H13N3O2/c1-8-7-9(5-6-10(8)14)15-13(18)11-3-2-4-12(17)16-11/h2-7H,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyITCBCHYOFDLEQR-UHFFFAOYSA-N
XLogP1.52
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261392
N-naphthalen-2-yl-6-oxo-1H-pyridine-2-carboxamide
CID 107261405
6-oxo-N-(4-propan-2-ylphenyl)-1H-pyridine-2-carboxamide
CID 107261448
N-(2-amino-4-bromophenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 114040041
N-(2-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261390
N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide
CID 141038982
N-(4-amino-3-bromophenyl)-2,6-dimethylbenzamide
CID 107999939
N-(6-methoxy-3-pyridinyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261359
N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017
6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide
CID 59802793
N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide
CID 63183667

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide (CID 114040045) is N-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide is Cc1cc(NC(=O)c2cccc(=O)[nH]2)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is ITCBCHYOFDLEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-7-9(5-6-10(8)14)15-13(18)11-3-2-4-12(17)16-11/h2-7H,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide?
N-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114040045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).