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

C17H15N3O4 — CID 54726866

IUPAC4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)c3cccnc3[nH]c2=O)cc1
InChIInChI=1S/C17H15N3O4/c1-24-11-6-4-10(5-7-11)9-19-16(22)13-14(21)12-3-2-8-18-15(12)20-17(13)23/h2-8H,9H2,1H3,(H,19,22)(H2,18,20,21,23)
InChIKeyKSXZDNXGNDGGNX-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.57
Rot. Bonds4

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

4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 54726866) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
PubChem CID54726866
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2c(O)c3cccnc3[nH]c2=O)cc1
InChIInChI=1S/C17H15N3O4/c1-24-11-6-4-10(5-7-11)9-19-16(22)13-14(21)12-3-2-8-18-15(12)20-17(13)23/h2-8H,9H2,1H3,(H,19,22)(H2,18,20,21,23)
InChIKeyKSXZDNXGNDGGNX-UHFFFAOYSA-N
XLogP1.57
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide (CID 54726866) is 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide is COc1ccc(CNC(=O)c2c(O)c3cccnc3[nH]c2=O)cc1.
What is the InChIKey of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is KSXZDNXGNDGGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-24-11-6-4-10(5-7-11)9-19-16(22)13-14(21)12-3-2-8-18-15(12)20-17(13)23/h2-8H,9H2,1H3,(H,19,22)(H2,18,20,21,23).
What are the key properties of 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54726866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).