N-benzoyl-5-nitropyridine-2-carboxamide

C13H9N3O4 — CID 21405378

IUPACN-benzoyl-5-nitropyridine-2-carboxamide
SMILESO=C(NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1
InChIInChI=1S/C13H9N3O4/c17-12(9-4-2-1-3-5-9)15-13(18)11-7-6-10(8-14-11)16(19)20/h1-8H,(H,15,17,18)
InChIKeyGAOSCKXVGQQJFO-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.56
Rot. Bonds3

About N-benzoyl-5-nitropyridine-2-carboxamide

N-benzoyl-5-nitropyridine-2-carboxamide (PubChem CID 21405378) has the molecular formula C13H9N3O4 and a molecular weight of 271.23 g/mol. Its IUPAC name is N-benzoyl-5-nitropyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzoyl-5-nitropyridine-2-carboxamide
PubChem CID21405378
Molecular FormulaC13H9N3O4
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC NameN-benzoyl-5-nitropyridine-2-carboxamide
SMILESO=C(NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1
InChIInChI=1S/C13H9N3O4/c17-12(9-4-2-1-3-5-9)15-13(18)11-7-6-10(8-14-11)16(19)20/h1-8H,(H,15,17,18)
InChIKeyGAOSCKXVGQQJFO-UHFFFAOYSA-N
XLogP1.56
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-butanoyl-5-nitropyridine-2-carboxamide
CID 21405268
5-nitro-N-propylpyridine-2-carboxamide
CID 21405282
5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
CID 157044268
5-nitro-N-pent-4-ynylpyridine-2-carboxamide
CID 162753441
N-(3-bromo-5-nitro-2-pyridinyl)benzamide
CID 19784083
N-benzoyl-3-nitropyridine-4-carboxamide
CID 21405313
(Z)-2-benzamido-3-(4-nitrophenyl)but-2-enoic acid
CID 819831
5-nitropyridine-2-carbothioamide
CID 82668935
(Z)-2-(5-nitro-2-pyridinyl)-3-phenylprop-2-enenitrile
CID 12012670
N-benzhydryl-4-nitrobenzamide
CID 676068
N-hydrazinylidene-5-nitropyridine-2-carboxamide
CID 126667337
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-5-nitropyridine-2-carboxamide?
The IUPAC name of N-benzoyl-5-nitropyridine-2-carboxamide (CID 21405378) is N-benzoyl-5-nitropyridine-2-carboxamide.
What is the SMILES notation for N-benzoyl-5-nitropyridine-2-carboxamide?
The canonical SMILES for N-benzoyl-5-nitropyridine-2-carboxamide is O=C(NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1.
What is the InChIKey of N-benzoyl-5-nitropyridine-2-carboxamide?
The InChIKey is GAOSCKXVGQQJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4/c17-12(9-4-2-1-3-5-9)15-13(18)11-7-6-10(8-14-11)16(19)20/h1-8H,(H,15,17,18).
What are the key properties of N-benzoyl-5-nitropyridine-2-carboxamide?
N-benzoyl-5-nitropyridine-2-carboxamide has a molecular weight of 271.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-5-nitropyridine-2-carboxamide is sourced from PubChem (CID 21405378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).