2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid

C13H14N2O3 — CID 50878126

IUPAC2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid
SMILESCc1nc2ccn(C(C)C)c(=O)c2cc1C(=O)O
InChIInChI=1S/C13H14N2O3/c1-7(2)15-5-4-11-10(12(15)16)6-9(13(17)18)8(3)14-11/h4-7H,1-3H3,(H,17,18)
InChIKeyHJUVHUFFUCPNLC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid

2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid (PubChem CID 50878126) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid
PubChem CID50878126
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid
SMILESCc1nc2ccn(C(C)C)c(=O)c2cc1C(=O)O
InChIInChI=1S/C13H14N2O3/c1-7(2)15-5-4-11-10(12(15)16)6-9(13(17)18)8(3)14-11/h4-7H,1-3H3,(H,17,18)
InChIKeyHJUVHUFFUCPNLC-UHFFFAOYSA-N
XLogP1.98
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid 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 2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid (CID 50878126) is 2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid is Cc1nc2ccn(C(C)C)c(=O)c2cc1C(=O)O.
What is the InChIKey of 2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is HJUVHUFFUCPNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7(2)15-5-4-11-10(12(15)16)6-9(13(17)18)8(3)14-11/h4-7H,1-3H3,(H,17,18).
What are the key properties of 2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid?
2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-6-propan-2-yl-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 50878126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).