N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide

C13H11N3O4 — CID 103763240

IUPACN-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCc1c(NC(=O)c2cc[nH]c(=O)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4/c1-8-10(3-2-4-11(8)16(19)20)15-13(18)9-5-6-14-12(17)7-9/h2-7H,1H3,(H,14,17)(H,15,18)
InChIKeyRGBGXLCZPBCMDG-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.84
Rot. Bonds3

About N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide

N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103763240) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103763240
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC NameN-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide
SMILESCc1c(NC(=O)c2cc[nH]c(=O)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4/c1-8-10(3-2-4-11(8)16(19)20)15-13(18)9-5-6-14-12(17)7-9/h2-7H,1H3,(H,14,17)(H,15,18)
InChIKeyRGBGXLCZPBCMDG-UHFFFAOYSA-N
XLogP1.84
TPSA105.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
N-(2-methyl-3-nitrophenyl)-3-propan-2-yloxybenzamide
CID 17142403
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 5186267
N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011538
3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796668
4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43708480
4-bromo-N-(2-methyl-3-nitrophenyl)-1H-pyrrole-2-carboxamide
CID 18097680
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 9270787

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide (CID 103763240) is N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide is Cc1c(NC(=O)c2cc[nH]c(=O)c2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is RGBGXLCZPBCMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-8-10(3-2-4-11(8)16(19)20)15-13(18)9-5-6-14-12(17)7-9/h2-7H,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide?
N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103763240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).