4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid

C19H15NO3 — CID 22185202

IUPAC4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid
SMILESO=C(O)CC(C(=O)c1ccc2ccccc2c1)c1ccncc1
InChIInChI=1S/C19H15NO3/c21-18(22)12-17(14-7-9-20-10-8-14)19(23)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,17H,12H2,(H,21,22)
InChIKeyWQXGUCFFICVZRK-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.68
Rot. Bonds5

About 4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid

4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid (PubChem CID 22185202) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid.

Molecular Properties

Compound Name4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid
PubChem CID22185202
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid
SMILESO=C(O)CC(C(=O)c1ccc2ccccc2c1)c1ccncc1
InChIInChI=1S/C19H15NO3/c21-18(22)12-17(14-7-9-20-10-8-14)19(23)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,17H,12H2,(H,21,22)
InChIKeyWQXGUCFFICVZRK-UHFFFAOYSA-N
XLogP3.68
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione
CID 102389148
2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone
CID 22282349
ethyl 4-(7-methylnaphthalen-2-yl)-4-oxo-3-pyridin-4-ylbutanoate
CID 123462184
1-(4-chlorophenyl)-4-phenyl-2-pyridin-4-ylbutane-1,4-dione
CID 18939015
2,3-bis(4-fluorophenyl)-1-naphthalen-2-ylpropan-1-one
CID 135032887
N-[2-oxo-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]naphthalene-2-carboxamide
CID 2472244
methyl 4-(4-methoxyphenyl)-4-oxo-3-pyridin-4-ylbutanoate
CID 18369422
2-amino-1-naphthalen-2-yl-2-phenylethanone
CID 116551211
3-methyl-4-(6-methylnaphthalen-2-yl)-4-oxobutanoic acid
CID 116918330
3-(2-bromophenyl)-4-oxo-4-pyridin-4-ylbutanoic acid
CID 84609696
5-naphthalen-2-yl-3-phenylhex-5-enoic acid
CID 89077119
4-oxo-3-phenyl-4-(3-phenylmethoxyphenyl)butanoic acid
CID 10689868

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid?
The IUPAC name of 4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid (CID 22185202) is 4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid.
What is the SMILES notation for 4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid?
The canonical SMILES for 4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid is O=C(O)CC(C(=O)c1ccc2ccccc2c1)c1ccncc1.
What is the InChIKey of 4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid?
The InChIKey is WQXGUCFFICVZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-18(22)12-17(14-7-9-20-10-8-14)19(23)16-6-5-13-3-1-2-4-15(13)11-16/h1-11,17H,12H2,(H,21,22).
What are the key properties of 4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid?
4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid has a molecular weight of 305.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid is sourced from PubChem (CID 22185202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).