N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide

C13H11N3O4 — CID 103336735

IUPACN-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]ccc2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4/c1-8-2-3-9(6-11(8)16(19)20)15-13(18)10-7-14-5-4-12(10)17/h2-7H,1H3,(H,14,17)(H,15,18)
InChIKeyXMBYXRPLLGPTTN-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.84
Rot. Bonds3

About N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide

N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103336735) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103336735
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC NameN-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]ccc2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4/c1-8-2-3-9(6-11(8)16(19)20)15-13(18)10-7-14-5-4-12(10)17/h2-7H,1H3,(H,14,17)(H,15,18)
InChIKeyXMBYXRPLLGPTTN-UHFFFAOYSA-N
XLogP1.84
TPSA105.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
5-[(4-methyl-3-nitrophenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414575
2-chloro-4-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 26576304
4-amino-2-fluoro-N-(4-methyl-3-nitrophenyl)benzamide
CID 107793705
N-[2-[(4-methyl-3-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 39887582
N-(3-fluoro-4-hydroxyphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 114038955
N-(4-methyl-3-nitrophenyl)-3-sulfanylbenzamide
CID 107021737
2-(dimethylamino)-N-(4-methyl-3-nitrophenyl)-5-nitrobenzamide
CID 43012608
N-(5-bromo-2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337253
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040
ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide
CID 143201282

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 103336735) is N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide is Cc1ccc(NC(=O)c2c[nH]ccc2=O)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XMBYXRPLLGPTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-8-2-3-9(6-11(8)16(19)20)15-13(18)10-7-14-5-4-12(10)17/h2-7H,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide?
N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103336735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).