4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

C23H19N3O4 — CID 54726888

IUPAC4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C23H19N3O4/c1-30-17-11-9-15(10-12-17)14-25-22(28)19-20(27)18-8-5-13-24-21(18)26(23(19)29)16-6-3-2-4-7-16/h2-13,27H,14H2,1H3,(H,25,28)
InChIKeyPDEIVMPWFBSDPP-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.03
Rot. Bonds5

About 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide

4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (PubChem CID 54726888) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
PubChem CID54726888
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C23H19N3O4/c1-30-17-11-9-15(10-12-17)14-25-22(28)19-20(27)18-8-5-13-24-21(18)26(23(19)29)16-6-3-2-4-7-16/h2-13,27H,14H2,1H3,(H,25,28)
InChIKeyPDEIVMPWFBSDPP-UHFFFAOYSA-N
XLogP3.03
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide (CID 54726888) is 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide is COc1ccc(CNC(=O)c2c(O)c3cccnc3n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is PDEIVMPWFBSDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-30-17-11-9-15(10-12-17)14-25-22(28)19-20(27)18-8-5-13-24-21(18)26(23(19)29)16-6-3-2-4-7-16/h2-13,27H,14H2,1H3,(H,25,28).
What are the key properties of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide?
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54726888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).