1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C24H21N3O4 — CID 54733633

IUPAC1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H21N3O4/c1-15-10-11-19(31-2)18(13-15)26-23(29)20-21(28)17-9-6-12-25-22(17)27(24(20)30)14-16-7-4-3-5-8-16/h3-13,28H,14H2,1-2H3,(H,26,29)
InChIKeyAJIWJYDBPPIOCM-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.72
Rot. Bonds5

About 1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide

1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54733633) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54733633
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C24H21N3O4/c1-15-10-11-19(31-2)18(13-15)26-23(29)20-21(28)17-9-6-12-25-22(17)27(24(20)30)14-16-7-4-3-5-8-16/h3-13,28H,14H2,1-2H3,(H,26,29)
InChIKeyAJIWJYDBPPIOCM-UHFFFAOYSA-N
XLogP3.72
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54726882
1-benzyl-N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727021
1-benzyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727016
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996326
1-benzyl-N-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727010
1-benzyl-N-(3-chloro-4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727019
1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727033
N-(2-fluoro-4-methylphenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726909
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54731920
3-benzyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 27369245
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
N-(5-chloro-2-methoxyphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54679620

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54733633) is 1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is AJIWJYDBPPIOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-15-10-11-19(31-2)18(13-15)26-23(29)20-21(28)17-9-6-12-25-22(17)27(24(20)30)14-16-7-4-3-5-8-16/h3-13,28H,14H2,1-2H3,(H,26,29).
What are the key properties of 1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-N-(2-methoxy-5-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54733633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).