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

C13H13N3O2 — CID 103807580

IUPACN-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(N)ccc1NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H13N3O2/c1-8-6-10(14)2-3-11(8)16-13(18)9-4-5-15-12(17)7-9/h2-7H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyXIFOAFSAHMFJGP-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.52
Rot. Bonds2

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

N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103807580) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103807580
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(N)ccc1NC(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H13N3O2/c1-8-6-10(14)2-3-11(8)16-13(18)9-4-5-15-12(17)7-9/h2-7H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyXIFOAFSAHMFJGP-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

3-methyl-4-[(2-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid
CID 106703618
N-(4-amino-2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 54485980
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
N-(5-acetamido-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103764048
N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide
CID 81290329
N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide
CID 103807594
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(4-fluoro-2-iodophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103766382
N-(4-chloro-2-fluorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762635
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600886
N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide (CID 103807580) is N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide is Cc1cc(N)ccc1NC(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is XIFOAFSAHMFJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-6-10(14)2-3-11(8)16-13(18)9-4-5-15-12(17)7-9/h2-7H,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-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-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103807580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).