2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide

C13H12N4O3 — CID 901926

IUPAC2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ncccc2C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3/c1-8-4-5-9(7-11(8)17(19)20)16-13-10(12(14)18)3-2-6-15-13/h2-7H,1H3,(H2,14,18)(H,15,16)
InChIKeyOSBQBRNMQSMSFD-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.14
Rot. Bonds4

About 2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide

2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide (PubChem CID 901926) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide
PubChem CID901926
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ncccc2C(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3/c1-8-4-5-9(7-11(8)17(19)20)16-13-10(12(14)18)3-2-6-15-13/h2-7H,1H3,(H2,14,18)(H,15,16)
InChIKeyOSBQBRNMQSMSFD-UHFFFAOYSA-N
XLogP2.14
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
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N-(5-nitropyridin-2-yl)pyridine-3-carboxamide
CID 2837056
N-phenyl-2-[(2-phenylethyl)amino]nicotinamide
CID 714469
4-Nitro-N-pyrimidin-2-yl-benzamide
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CID 771973
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide?
The IUPAC name of 2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide (CID 901926) is 2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide?
The canonical SMILES for 2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide is Cc1ccc(Nc2ncccc2C(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide?
The InChIKey is OSBQBRNMQSMSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-4-5-9(7-11(8)17(19)20)16-13-10(12(14)18)3-2-6-15-13/h2-7H,1H3,(H2,14,18)(H,15,16).
What are the key properties of 2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide?
2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-nitroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 901926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).