6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide

C25H23N3O3 — CID 46339843

IUPAC6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCOc1ccc(Cn2ccc3nc(C)c(C(=O)Nc4ccccc4C)cc3c2=O)cc1
InChIInChI=1S/C25H23N3O3/c1-16-6-4-5-7-22(16)27-24(29)20-14-21-23(26-17(20)2)12-13-28(25(21)30)15-18-8-10-19(31-3)11-9-18/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyYOGWCKYLZCHHDL-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.32
Rot. Bonds5

About 6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide

6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide (PubChem CID 46339843) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
PubChem CID46339843
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide
SMILESCOc1ccc(Cn2ccc3nc(C)c(C(=O)Nc4ccccc4C)cc3c2=O)cc1
InChIInChI=1S/C25H23N3O3/c1-16-6-4-5-7-22(16)27-24(29)20-14-21-23(26-17(20)2)12-13-28(25(21)30)15-18-8-10-19(31-3)11-9-18/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyYOGWCKYLZCHHDL-UHFFFAOYSA-N
XLogP4.32
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide (CID 46339843) is 6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide is COc1ccc(Cn2ccc3nc(C)c(C(=O)Nc4ccccc4C)cc3c2=O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide?
The InChIKey is YOGWCKYLZCHHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-6-4-5-7-22(16)27-24(29)20-14-21-23(26-17(20)2)12-13-28(25(21)30)15-18-8-10-19(31-3)11-9-18/h4-14H,15H2,1-3H3,(H,27,29).
What are the key properties of 6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide?
6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylphenyl)-5-oxo-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 46339843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).