N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

C21H19N3O5 — CID 48520347

IUPACN-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O
InChIInChI=1S/C21H19N3O5/c1-14-5-3-6-15(11-14)13-23-10-4-7-17(21(23)26)20(25)22-18-12-16(24(27)28)8-9-19(18)29-2/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyHOQIWULWTFYUDU-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.37
Rot. Bonds6

About N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 48520347) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID48520347
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC NameN-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O
InChIInChI=1S/C21H19N3O5/c1-14-5-3-6-15(11-14)13-23-10-4-7-17(21(23)26)20(25)22-18-12-16(24(27)28)8-9-19(18)29-2/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyHOQIWULWTFYUDU-UHFFFAOYSA-N
XLogP3.37
TPSA103.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxy-5-nitrophenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382319
N-(3-methylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599175
1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598295
N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599231
N-(2-methoxy-4-nitrophenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597943
N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599190
1-[(2,5-dimethylphenyl)methyl]-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598660
1-[(4-fluorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7597772
N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599222
N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671373
N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599212
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 16803770

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 48520347) is N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is HOQIWULWTFYUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-14-5-3-6-15(11-14)13-23-10-4-7-17(21(23)26)20(25)22-18-12-16(24(27)28)8-9-19(18)29-2/h3-12H,13H2,1-2H3,(H,22,25).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 48520347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).