1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide

C21H20N2O3 — CID 7422820

IUPAC1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C21H20N2O3/c1-15-8-10-19(26-2)18(12-15)22-21(25)17-9-11-20(24)23(14-17)13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,22,25)
InChIKeyOYFGHGDOOYNVTE-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.47
Rot. Bonds5

About 1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide

1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide (PubChem CID 7422820) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide
PubChem CID7422820
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)c1
InChIInChI=1S/C21H20N2O3/c1-15-8-10-19(26-2)18(12-15)22-21(25)17-9-11-20(24)23(14-17)13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,22,25)
InChIKeyOYFGHGDOOYNVTE-UHFFFAOYSA-N
XLogP3.47
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide (CID 7422820) is 1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc(=O)n(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is OYFGHGDOOYNVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15-8-10-19(26-2)18(12-15)22-21(25)17-9-11-20(24)23(14-17)13-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,22,25).
What are the key properties of 1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide?
1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 7422820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).