3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid

C19H17NO2 — CID 139483442

IUPAC3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid
SMILESO=C(O)CCc1ccncc1Cc1cccc2ccccc12
InChIInChI=1S/C19H17NO2/c21-19(22)9-8-14-10-11-20-13-17(14)12-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,10-11,13H,8-9,12H2,(H,21,22)
InChIKeyRVYBIHKSILDRNF-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.84
Rot. Bonds5

About 3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid

3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid (PubChem CID 139483442) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid
PubChem CID139483442
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid
SMILESO=C(O)CCc1ccncc1Cc1cccc2ccccc12
InChIInChI=1S/C19H17NO2/c21-19(22)9-8-14-10-11-20-13-17(14)12-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,10-11,13H,8-9,12H2,(H,21,22)
InChIKeyRVYBIHKSILDRNF-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid
CID 162352589
3-isoquinolin-5-ylpropanamide
CID 82578287
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322
3-(3-fluoro-4-pyridinyl)propanoic acid
CID 84653318
4-isoquinolin-8-ylbutan-2-one
CID 103144158
4-(naphthalen-1-ylmethyl)pyridazine-3-carboxylic acid
CID 91583170
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
3-quinolin-5-ylpropanoic acid
CID 81224223
CID 66760372
CID 66760372
1-isoquinolin-8-ylpentan-3-one
CID 103144159
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 107272392

Frequently Asked Questions

What is the IUPAC name of 3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid?
The IUPAC name of 3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid (CID 139483442) is 3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid?
The canonical SMILES for 3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid is O=C(O)CCc1ccncc1Cc1cccc2ccccc12.
What is the InChIKey of 3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid?
The InChIKey is RVYBIHKSILDRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c21-19(22)9-8-14-10-11-20-13-17(14)12-16-6-3-5-15-4-1-2-7-18(15)16/h1-7,10-11,13H,8-9,12H2,(H,21,22).
What are the key properties of 3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid?
3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(naphthalen-1-ylmethyl)-4-pyridinyl]propanoic acid is sourced from PubChem (CID 139483442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).