1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid

C18H15NO3 — CID 14075345

IUPAC1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)cc(-c2cccc3ccccc23)n1C
InChIInChI=1S/C18H15NO3/c1-11-17(18(21)22)16(20)10-15(19(11)2)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3,(H,21,22)
InChIKeyOQGXGUPINZCOOM-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.21
Rot. Bonds2

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

1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid (PubChem CID 14075345) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid
PubChem CID14075345
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)cc(-c2cccc3ccccc23)n1C
InChIInChI=1S/C18H15NO3/c1-11-17(18(21)22)16(20)10-15(19(11)2)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3,(H,21,22)
InChIKeyOQGXGUPINZCOOM-UHFFFAOYSA-N
XLogP3.21
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid (CID 14075345) is 1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid is Cc1c(C(=O)O)c(=O)cc(-c2cccc3ccccc23)n1C.
What is the InChIKey of 1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid?
The InChIKey is OQGXGUPINZCOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-17(18(21)22)16(20)10-15(19(11)2)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3,(H,21,22).
What are the key properties of 1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid?
1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-naphthalen-1-yl-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 14075345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).