1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid

C18H15NO3 — CID 12831232

IUPAC1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H15NO3/c1-2-19-11-15(18(21)22)17(20)10-16(19)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,2H2,1H3,(H,21,22)
InChIKeyFHDQRDHNKMTDLF-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.39
Rot. Bonds3

About 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid

1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid (PubChem CID 12831232) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid
PubChem CID12831232
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H15NO3/c1-2-19-11-15(18(21)22)17(20)10-16(19)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,2H2,1H3,(H,21,22)
InChIKeyFHDQRDHNKMTDLF-UHFFFAOYSA-N
XLogP3.39
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid (CID 12831232) is 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)cc1-c1ccc2ccccc2c1.
What is the InChIKey of 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid?
The InChIKey is FHDQRDHNKMTDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-19-11-15(18(21)22)17(20)10-16(19)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,2H2,1H3,(H,21,22).
What are the key properties of 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid?
1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-naphthalen-2-yl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 12831232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).