N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

C21H19N3O5 — CID 110382372

IUPACN-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C)cc3)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H19N3O5/c1-14-3-5-15(6-4-14)12-23-13-16(7-10-20(23)25)21(26)22-18-9-8-17(29-2)11-19(18)24(27)28/h3-11,13H,12H2,1-2H3,(H,22,26)
InChIKeyOCIIIRDNPOVMPO-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.37
Rot. Bonds6

About N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 110382372) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID110382372
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC NameN-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C)cc3)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C21H19N3O5/c1-14-3-5-15(6-4-14)12-23-13-16(7-10-20(23)25)21(26)22-18-9-8-17(29-2)11-19(18)24(27)28/h3-11,13H,12H2,1-2H3,(H,22,26)
InChIKeyOCIIIRDNPOVMPO-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'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-(4-methoxy-2-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 110382384
N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697069
N-(2,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382358
N-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382687
N-(2,4-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697983
N-(2-methoxy-5-methylphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697109
N-(2,5-dimethylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697984
N-(2-methoxy-4-nitrophenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671373
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426
N-(4-methoxy-2-nitrophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108807672
N-(2-methoxy-4-nitrophenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 18582736

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (CID 110382372) is N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C)cc3)c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is OCIIIRDNPOVMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-14-3-5-15(6-4-14)12-23-13-16(7-10-20(23)25)21(26)22-18-9-8-17(29-2)11-19(18)24(27)28/h3-11,13H,12H2,1-2H3,(H,22,26).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-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-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 110382372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).