7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide

C24H21N3O3 — CID 54706739

IUPAC7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide
SMILESCC(NC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C24H21N3O3/c1-15(18-10-6-3-7-11-18)26-23(29)20-22(28)21-19(27-24(20)30)13-17(14-25-21)12-16-8-4-2-5-9-16/h2-11,13-15H,12H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyAOKHOZKILWTAKY-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.71
Rot. Bonds5

About 7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide

7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 54706739) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide
PubChem CID54706739
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide
SMILESCC(NC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C24H21N3O3/c1-15(18-10-6-3-7-11-18)26-23(29)20-22(28)21-19(27-24(20)30)13-17(14-25-21)12-16-8-4-2-5-9-16/h2-11,13-15H,12H2,1H3,(H,26,29)(H2,27,28,30)
InChIKeyAOKHOZKILWTAKY-UHFFFAOYSA-N
XLogP3.71
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide (CID 54706739) is 7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide is CC(NC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2[nH]c1=O)c1ccccc1.
What is the InChIKey of 7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is AOKHOZKILWTAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15(18-10-6-3-7-11-18)26-23(29)20-22(28)21-19(27-24(20)30)13-17(14-25-21)12-16-8-4-2-5-9-16/h2-11,13-15H,12H2,1H3,(H,26,29)(H2,27,28,30).
What are the key properties of 7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide?
7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54706739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).