1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid

C27H19N3O4 — CID 141445763

About 1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid

1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid (PubChem CID 141445763) has the molecular formula C27H19N3O4 and a molecular weight of 449.47 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid
• PubChem CID: 141445763
• Molecular Formula: C27H19N3O4
• Molecular Weight: 449.47 g/mol
• Exact Mass: 449.14
• IUPAC Name: 1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid
• SMILES: O=C(O)c1nc(-c2ccccn2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O
• InChI: InChI=1S/C27H19N3O4/c31-25-20-15-19(18-11-5-2-6-12-18)26(32)30(16-17-9-3-1-4-10-17)24(20)22(29-23(25)27(33)34)21-13-7-8-14-28-21/h1-15,31H,16H2,(H,33,34)
• InChIKey: JYFSKQDEZWVFRR-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 105.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.47
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid?

The IUPAC name of 1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid (CID 141445763) is 1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid.

What is the SMILES notation for 1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid?

The canonical SMILES for 1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid is O=C(O)c1nc(-c2ccccn2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O.

What is the InChIKey of 1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid?

The InChIKey is JYFSKQDEZWVFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O4/c31-25-20-15-19(18-11-5-2-6-12-18)26(32)30(16-17-9-3-1-4-10-17)24(20)22(29-23(25)27(33)34)21-13-7-8-14-28-21/h1-15,31H,16H2,(H,33,34).

What are the key properties of 1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid?

1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid has a molecular weight of 449.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-hydroxy-2-oxo-3-phenyl-8-pyridin-2-yl-1,7-naphthyridine-6-carboxylic acid is sourced from PubChem (CID 141445763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).