5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide

C13H10N4O6 — CID 34349709

IUPAC5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(Cc2cccc([N+](=O)[O-])c2)c1=O
InChIInChI=1S/C13H10N4O6/c14-12(18)11-5-10(17(22)23)7-15(13(11)19)6-8-2-1-3-9(4-8)16(20)21/h1-5,7H,6H2,(H2,14,18)
InChIKeyOPMJCSYDBBIOKZ-UHFFFAOYSA-N
MW318.25 g/mol
LogP0.81
Rot. Bonds5

About 5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide

5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 34349709) has the molecular formula C13H10N4O6 and a molecular weight of 318.25 g/mol. Its IUPAC name is 5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID34349709
Molecular FormulaC13H10N4O6
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC Name5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc([N+](=O)[O-])cn(Cc2cccc([N+](=O)[O-])c2)c1=O
InChIInChI=1S/C13H10N4O6/c14-12(18)11-5-10(17(22)23)7-15(13(11)19)6-8-2-1-3-9(4-8)16(20)21/h1-5,7H,6H2,(H2,14,18)
InChIKeyOPMJCSYDBBIOKZ-UHFFFAOYSA-N
XLogP0.81
TPSA151.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-nitro-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 36991794
4-(2-methylpropyl)-1-[(3-nitrophenyl)methyl]pyrrole-2-carboxylic acid
CID 67487616
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 35500675
1-[(2R)-2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 94386546
1-[(2-anilino-1,3-thiazol-4-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 39040001
5-amino-1-[(3-nitrophenyl)methyl]triazole-4-carboxamide
CID 18558698
1-[(3-methylphenyl)methyl]-4-nitropyrrole-2-carboxylic acid
CID 61293133
1-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 39038454
N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599231
1-[3-(4-fluorophenoxy)propyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 39038188
N-(3-methylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599175
1-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 71921248

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 34349709) is 5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide is NC(=O)c1cc([N+](=O)[O-])cn(Cc2cccc([N+](=O)[O-])c2)c1=O.
What is the InChIKey of 5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is OPMJCSYDBBIOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O6/c14-12(18)11-5-10(17(22)23)7-15(13(11)19)6-8-2-1-3-9(4-8)16(20)21/h1-5,7H,6H2,(H2,14,18).
What are the key properties of 5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 318.25 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 34349709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).