4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide

C13H12N4O3 — CID 62185643

IUPAC4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(N)ccn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3/c1-8-6-10(2-3-12(8)17(19)20)16-13(18)11-7-9(14)4-5-15-11/h2-7H,1H3,(H2,14,15)(H,16,18)
InChIKeyXMBKURFTZMQXLY-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.13
Rot. Bonds3

About 4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide

4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide (PubChem CID 62185643) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide
PubChem CID62185643
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(N)ccn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3/c1-8-6-10(2-3-12(8)17(19)20)16-13(18)11-7-9(14)4-5-15-11/h2-7H,1H3,(H2,14,15)(H,16,18)
InChIKeyXMBKURFTZMQXLY-UHFFFAOYSA-N
XLogP2.13
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.13
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

6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide
CID 62185978
4-hydrazinyl-N-(4-methyl-3-nitrophenyl)pyridine-2-carboxamide
CID 62238018
N-(4-acetamidophenyl)-4-aminopyridine-2-carboxamide
CID 95473649
4-amino-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 107794431
2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 60722571
3-chloro-N-(3-methyl-4-nitrophenyl)pyridine-4-carboxamide
CID 66484722
4-amino-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 62154867
N-(4-acetylphenyl)-4-aminopyridine-2-carboxamide
CID 82299178
4-amino-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 62152522
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
5-amino-N-(4-fluoro-3-methylphenyl)-2-nitrobenzamide
CID 62811596
5-amino-N-(3-bromo-4-nitrophenyl)pyridine-2-carboxamide
CID 82865202

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide (CID 62185643) is 4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2cc(N)ccn2)ccc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is XMBKURFTZMQXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-6-10(2-3-12(8)17(19)20)16-13(18)11-7-9(14)4-5-15-11/h2-7H,1H3,(H2,14,15)(H,16,18).
What are the key properties of 4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide?
4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62185643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).