2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid

C15H12N2O3S — CID 46253557

IUPAC2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid
SMILESCc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)O
InChIInChI=1S/C15H12N2O3S/c1-9-11(15(19)20)7-12-13(16-9)4-5-17(14(12)18)8-10-3-2-6-21-10/h2-7H,8H2,1H3,(H,19,20)
InChIKeyFJDKPRJAOIRITB-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.51
Rot. Bonds3

About 2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid

2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid (PubChem CID 46253557) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid
PubChem CID46253557
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid
SMILESCc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)O
InChIInChI=1S/C15H12N2O3S/c1-9-11(15(19)20)7-12-13(16-9)4-5-17(14(12)18)8-10-3-2-6-21-10/h2-7H,8H2,1H3,(H,19,20)
InChIKeyFJDKPRJAOIRITB-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-(thiophen-2-ylmethyl)-1,6-naphthyridin-5-one
CID 20946805
2,8-bis(thiophen-2-ylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 20855150
3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one
CID 46339897
3-methyl-1-(thiophen-2-ylmethyl)pyrrole-2-carboxylic acid
CID 102604724
methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 20855188
6-[(3-fluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248733
methyl 6-(2-hydroxyethyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864511
6-benzyl-N-(2,5-dimethylphenyl)-2-methyl-5-oxo-1,6-naphthyridine-3-carboxamide
CID 20947019
6-[(3,4-difluorophenyl)methyl]-2-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248853
ethyl 2-methyl-5-oxo-6-(2-phenylethyl)-1,6-naphthyridine-3-carboxylate
CID 14666346
6-benzyl-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-oxo-1,6-naphthyridine-3-carboxamide
CID 169248825
ethyl 6-[(3,4-difluorophenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 169248811

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid (CID 46253557) is 2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid is Cc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)O.
What is the InChIKey of 2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is FJDKPRJAOIRITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-9-11(15(19)20)7-12-13(16-9)4-5-17(14(12)18)8-10-3-2-6-21-10/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid?
2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 300.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-6-(thiophen-2-ylmethyl)-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 46253557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).