6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide

C13H12N4O3 — CID 62239792

IUPAC6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C13H12N4O3/c1-14-12-4-2-3-11(16-12)13(18)15-9-5-7-10(8-6-9)17(19)20/h2-8H,1H3,(H,14,16)(H,15,18)
InChIKeyJRJKUSZLIHVGNB-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.28
Rot. Bonds4

About 6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide

6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide (PubChem CID 62239792) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
PubChem CID62239792
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C13H12N4O3/c1-14-12-4-2-3-11(16-12)13(18)15-9-5-7-10(8-6-9)17(19)20/h2-8H,1H3,(H,14,16)(H,15,18)
InChIKeyJRJKUSZLIHVGNB-UHFFFAOYSA-N
XLogP2.28
TPSA97.16 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 ≤ 52.28
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

N-(4-tert-butylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239245
5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 104640079
N-(3,5-dichlorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62238561
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
CID 4320566
N-(4-bromo-3-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239926
N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide
CID 177046941
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
N-(2-chlorophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62241147
2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62788018
2,6-difluoro-N-(4-nitrophenyl)benzamide
CID 2841260
2,3-dichloro-N-(4-nitrophenyl)benzamide
CID 2896612
N-(5-bromo-2-pyridinyl)-6-(methylamino)pyridine-2-carboxamide
CID 62238936

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide (CID 62239792) is 6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide is CNc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is JRJKUSZLIHVGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-14-12-4-2-3-11(16-12)13(18)15-9-5-7-10(8-6-9)17(19)20/h2-8H,1H3,(H,14,16)(H,15,18).
What are the key properties of 6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide?
6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62239792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).