5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide

C15H13N3O4 — CID 54251746

IUPAC5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(=O)c2cnc([N+](=O)[O-])c(C)c2)cc1
InChIInChI=1S/C15H13N3O4/c1-9-3-5-11(6-4-9)14(19)17-15(20)12-7-10(2)13(16-8-12)18(21)22/h3-8H,1-2H3,(H,17,19,20)
InChIKeyQXGKTPBPSSCCFI-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.18
Rot. Bonds3

About 5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide

5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide (PubChem CID 54251746) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide
PubChem CID54251746
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(=O)c2cnc([N+](=O)[O-])c(C)c2)cc1
InChIInChI=1S/C15H13N3O4/c1-9-3-5-11(6-4-9)14(19)17-15(20)12-7-10(2)13(16-8-12)18(21)22/h3-8H,1-2H3,(H,17,19,20)
InChIKeyQXGKTPBPSSCCFI-UHFFFAOYSA-N
XLogP2.18
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.18
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-(4-methoxybenzoyl)-5-methyl-6-nitropyridine-3-carboxamide
CID 54209246
5-methyl-6-nitro-N-pentanoylpyridine-3-carboxamide
CID 54217678
N-(4-methylbenzoyl)-3-nitropyridine-4-carboxamide
CID 54125573
(4-methylbenzoyl)carbamic acid
CID 89120559
4-methyl-N-[(4-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 2198865
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 115912537
methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate
CID 175211628
N-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methylphenyl)carbamimidoyl]-4-nitrobenzamide
CID 135467453
N'-(4-methylbenzoyl)-3-nitrobenzohydrazide
CID 4506110
3-methyl-4-nitro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3985310
4-methyl-N-[(4-methylbenzoyl)carbamothioyl]benzamide
CID 22071974

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide (CID 54251746) is 5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide is Cc1ccc(C(=O)NC(=O)c2cnc([N+](=O)[O-])c(C)c2)cc1.
What is the InChIKey of 5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide?
The InChIKey is QXGKTPBPSSCCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-9-3-5-11(6-4-9)14(19)17-15(20)12-7-10(2)13(16-8-12)18(21)22/h3-8H,1-2H3,(H,17,19,20).
What are the key properties of 5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide?
5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylbenzoyl)-6-nitropyridine-3-carboxamide is sourced from PubChem (CID 54251746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).