1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

C10H9N3O4 — CID 54735001

IUPAC1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCNC(=O)c1c(O)c2cccnc2n(O)c1=O
InChIInChI=1S/C10H9N3O4/c1-11-9(15)6-7(14)5-3-2-4-12-8(5)13(17)10(6)16/h2-4,14,17H,1H3,(H,11,15)
InChIKeyJIJMXLDGYSQJRL-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.30
Rot. Bonds1

About 1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide

1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54735001) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54735001
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCNC(=O)c1c(O)c2cccnc2n(O)c1=O
InChIInChI=1S/C10H9N3O4/c1-11-9(15)6-7(14)5-3-2-4-12-8(5)13(17)10(6)16/h2-4,14,17H,1H3,(H,11,15)
InChIKeyJIJMXLDGYSQJRL-UHFFFAOYSA-N
XLogP-0.30
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54735001) is 1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is CNC(=O)c1c(O)c2cccnc2n(O)c1=O.
What is the InChIKey of 1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is JIJMXLDGYSQJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-11-9(15)6-7(14)5-3-2-4-12-8(5)13(17)10(6)16/h2-4,14,17H,1H3,(H,11,15).
What are the key properties of 1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide?
1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 235.20 g/mol, XLogP of -0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-N-methyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54735001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).