4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide

C17H15N3O3 — CID 174704711

IUPAC4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide
SMILESNC(=O)c1ncc2c(=O)n(CCc3ccccc3)ccc2c1O
InChIInChI=1S/C17H15N3O3/c18-16(22)14-15(21)12-7-9-20(17(23)13(12)10-19-14)8-6-11-4-2-1-3-5-11/h1-5,7,9-10,21H,6,8H2,(H2,18,22)
InChIKeyVOKZPUFRKQETRB-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.44
Rot. Bonds4

About 4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide

4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide (PubChem CID 174704711) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide
PubChem CID174704711
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide
SMILESNC(=O)c1ncc2c(=O)n(CCc3ccccc3)ccc2c1O
InChIInChI=1S/C17H15N3O3/c18-16(22)14-15(21)12-7-9-20(17(23)13(12)10-19-14)8-6-11-4-2-1-3-5-11/h1-5,7,9-10,21H,6,8H2,(H2,18,22)
InChIKeyVOKZPUFRKQETRB-UHFFFAOYSA-N
XLogP1.44
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide?
The IUPAC name of 4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide (CID 174704711) is 4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide?
The canonical SMILES for 4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide is NC(=O)c1ncc2c(=O)n(CCc3ccccc3)ccc2c1O.
What is the InChIKey of 4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide?
The InChIKey is VOKZPUFRKQETRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c18-16(22)14-15(21)12-7-9-20(17(23)13(12)10-19-14)8-6-11-4-2-1-3-5-11/h1-5,7,9-10,21H,6,8H2,(H2,18,22).
What are the key properties of 4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide?
4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 174704711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).