5-(benzylamino)-2-nitropyridine-3-carboxamide

C13H12N4O3 — CID 142661070

IUPAC5-(benzylamino)-2-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc(NCc2ccccc2)cnc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3/c14-12(18)11-6-10(8-16-13(11)17(19)20)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,14,18)
InChIKeyOSMFGNVQCIZOTD-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.70
Rot. Bonds5

About 5-(benzylamino)-2-nitropyridine-3-carboxamide

5-(benzylamino)-2-nitropyridine-3-carboxamide (PubChem CID 142661070) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-(benzylamino)-2-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-2-nitropyridine-3-carboxamide
PubChem CID142661070
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name5-(benzylamino)-2-nitropyridine-3-carboxamide
SMILESNC(=O)c1cc(NCc2ccccc2)cnc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3/c14-12(18)11-6-10(8-16-13(11)17(19)20)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,14,18)
InChIKeyOSMFGNVQCIZOTD-UHFFFAOYSA-N
XLogP1.70
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.70
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-benzyl-6-nitropyridin-3-amine
CID 55024435
3-[[(6-nitro-3-pyridinyl)amino]methyl]benzoic acid
CID 60894072
N-benzyl-2-nitropyridine-3-carboxamide
CID 19034724
2-(benzylamino)-3-nitroquinoline-4-carboxamide
CID 142661071
N-benzyl-3,4-dinitroaniline
CID 3154285
1-[[2-(benzylamino)-5-nitropyrimidin-4-yl]amino]propan-2-one
CID 154371838
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
N-benzyl-5-methyl-3-nitropyridin-2-amine
CID 24903143
N-benzyl-6-hydrazinylpyridin-3-amine
CID 82054997
3-nitro-4-[(2-phenylmethoxy-4-pyridinyl)methylamino]benzamide
CID 60505262
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-2-nitropyridine-3-carboxamide?
The IUPAC name of 5-(benzylamino)-2-nitropyridine-3-carboxamide (CID 142661070) is 5-(benzylamino)-2-nitropyridine-3-carboxamide.
What is the SMILES notation for 5-(benzylamino)-2-nitropyridine-3-carboxamide?
The canonical SMILES for 5-(benzylamino)-2-nitropyridine-3-carboxamide is NC(=O)c1cc(NCc2ccccc2)cnc1[N+](=O)[O-].
What is the InChIKey of 5-(benzylamino)-2-nitropyridine-3-carboxamide?
The InChIKey is OSMFGNVQCIZOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c14-12(18)11-6-10(8-16-13(11)17(19)20)15-7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,14,18).
What are the key properties of 5-(benzylamino)-2-nitropyridine-3-carboxamide?
5-(benzylamino)-2-nitropyridine-3-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-2-nitropyridine-3-carboxamide is sourced from PubChem (CID 142661070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).