3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide

C13H12N4O3 — CID 104741301

IUPAC3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ncccc1N
InChIInChI=1S/C13H12N4O3/c1-8-4-5-9(17(19)20)7-11(8)16-13(18)12-10(14)3-2-6-15-12/h2-7H,14H2,1H3,(H,16,18)
InChIKeyAJTVXQCLRZOGNV-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.13
Rot. Bonds3

About 3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide

3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide (PubChem CID 104741301) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
PubChem CID104741301
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ncccc1N
InChIInChI=1S/C13H12N4O3/c1-8-4-5-9(17(19)20)7-11(8)16-13(18)12-10(14)3-2-6-15-12/h2-7H,14H2,1H3,(H,16,18)
InChIKeyAJTVXQCLRZOGNV-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

3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 104741220
N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide
CID 103894425
3-bromo-N-(2-bromo-5-nitrophenyl)pyridine-2-carboxamide
CID 107519192
2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62059685
3-amino-N-(4-bromo-2-methylphenyl)pyridine-2-carboxamide
CID 113447553
2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide
CID 105380524
N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468231
3-amino-N-(2-methyl-5-nitrophenyl)-4-propoxybenzamide
CID 110499809
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
2,6-dichloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 4534169
3-amino-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741149
N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide
CID 67494338

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide (CID 104741301) is 3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is AJTVXQCLRZOGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-4-5-9(17(19)20)7-11(8)16-13(18)12-10(14)3-2-6-15-12/h2-7H,14H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide?
3-amino-N-(2-methyl-5-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 3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 104741301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).