6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide

C13H12N4O3 — CID 62239653

IUPAC6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
SMILESNc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C13H12N4O3/c14-12-3-1-2-11(16-12)13(18)15-8-9-4-6-10(7-5-9)17(19)20/h1-7H,8H2,(H2,14,16)(H,15,18)
InChIKeyWQILBAGWZJQWKR-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.50
Rot. Bonds4

About 6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide

6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide (PubChem CID 62239653) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
PubChem CID62239653
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
SMILESNc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C13H12N4O3/c14-12-3-1-2-11(16-12)13(18)15-8-9-4-6-10(7-5-9)17(19)20/h1-7H,8H2,(H2,14,16)(H,15,18)
InChIKeyWQILBAGWZJQWKR-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 24903452
6-amino-N-benzylpyridine-2-carboxamide
CID 62240949
6-amino-N-[(4-propan-2-ylphenyl)methyl]pyridine-2-carboxamide
CID 62240545
6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide
CID 62503346
4-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 2164802
4-amino-3-fluoro-N-[(4-nitrophenyl)methyl]benzamide
CID 63188689
2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 47311873
6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide
CID 62240083
N-benzyl-1-[(4-nitrophenyl)methyl]imidazole-4-carboxamide
CID 53491108
6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 107335605
4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 11522966
N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide (CID 62239653) is 6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide is Nc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is WQILBAGWZJQWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c14-12-3-1-2-11(16-12)13(18)15-8-9-4-6-10(7-5-9)17(19)20/h1-7H,8H2,(H2,14,16)(H,15,18).
What are the key properties of 6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide?
6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62239653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).