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

C17H14N2O3 — CID 45106203

IUPAC6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid
SMILESCc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)O
InChIInChI=1S/C17H14N2O3/c1-11-13(17(21)22)9-14-15(18-11)7-8-19(16(14)20)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,22)
InChIKeyUYSWNWOFRQBWJJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.45
Rot. Bonds3

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

6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid (PubChem CID 45106203) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid
PubChem CID45106203
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid
SMILESCc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)O
InChIInChI=1S/C17H14N2O3/c1-11-13(17(21)22)9-14-15(18-11)7-8-19(16(14)20)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,22)
InChIKeyUYSWNWOFRQBWJJ-UHFFFAOYSA-N
XLogP2.45
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid (CID 45106203) is 6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid is Cc1nc2ccn(Cc3ccccc3)c(=O)c2cc1C(=O)O.
What is the InChIKey of 6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is UYSWNWOFRQBWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11-13(17(21)22)9-14-15(18-11)7-8-19(16(14)20)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of 6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid?
6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 45106203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).