1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide

C14H13N3O4 — CID 103610887

IUPAC1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C14H13N3O4/c1-9-3-4-11(17(20)21)8-12(9)15-14(19)10-5-6-16(2)13(18)7-10/h3-8H,1-2H3,(H,15,19)
InChIKeyISWYXEQEHMGTDN-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.85
Rot. Bonds3

About 1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide

1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide (PubChem CID 103610887) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide
PubChem CID103610887
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C14H13N3O4/c1-9-3-4-11(17(20)21)8-12(9)15-14(19)10-5-6-16(2)13(18)7-10/h3-8H,1-2H3,(H,15,19)
InChIKeyISWYXEQEHMGTDN-UHFFFAOYSA-N
XLogP1.85
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.85
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'}

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Related Compounds

3-bromo-4-chloro-N-(2-methyl-5-nitrophenyl)benzamide
CID 103841659
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
3-bromo-5-methyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 104852061
N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 86816899
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
CID 1309584
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073
4-methyl-N-(2-methyl-5-nitrophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 8991630
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
CID 141373878
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 78794488

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide (CID 103610887) is 1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide?
The InChIKey is ISWYXEQEHMGTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-9-3-4-11(17(20)21)8-12(9)15-14(19)10-5-6-16(2)13(18)7-10/h3-8H,1-2H3,(H,15,19).
What are the key properties of 1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide?
1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 103610887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).