2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid

C19H17NO2 — CID 14252647

IUPAC2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid
SMILESO=C(O)C(Cc1cccnc1)Cc1cccc2ccccc12
InChIInChI=1S/C19H17NO2/c21-19(22)17(11-14-5-4-10-20-13-14)12-16-8-3-7-15-6-1-2-9-18(15)16/h1-10,13,17H,11-12H2,(H,21,22)
InChIKeyJHQVSDATXYFXHJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.72
Rot. Bonds5

About 2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid

2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid (PubChem CID 14252647) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid
PubChem CID14252647
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid
SMILESO=C(O)C(Cc1cccnc1)Cc1cccc2ccccc12
InChIInChI=1S/C19H17NO2/c21-19(22)17(11-14-5-4-10-20-13-14)12-16-8-3-7-15-6-1-2-9-18(15)16/h1-10,13,17H,11-12H2,(H,21,22)
InChIKeyJHQVSDATXYFXHJ-UHFFFAOYSA-N
XLogP3.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic 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

2-[(2-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418162
3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid
CID 169444867
2-[(3-methylphenyl)methyl]-3-pyridin-3-ylpropanoic acid
CID 79418956
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid
CID 14600094
2-[(2-methylphenyl)methyl]-4-pyridin-3-ylbutanoic acid
CID 79418739
propan-2-yl (2R)-2-benzyl-3-naphthalen-1-ylpropanoate
CID 24773275
2-(pyridin-3-ylmethyl)decanoic acid
CID 139906177
3-(aminomethyl)-4-pyridin-3-ylbutan-2-one
CID 86775823
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
2-(tert-butylsulfanylmethyl)-3-naphthalen-1-ylpropanoic acid
CID 23212908
(2R)-4-cyano-2-(naphthalen-1-ylmethyl)butanoic acid
CID 18611834

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid (CID 14252647) is 2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid is O=C(O)C(Cc1cccnc1)Cc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid?
The InChIKey is JHQVSDATXYFXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-19(22)17(11-14-5-4-10-20-13-14)12-16-8-3-7-15-6-1-2-9-18(15)16/h1-10,13,17H,11-12H2,(H,21,22).
What are the key properties of 2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid?
2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid has a molecular weight of 291.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 14252647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).