3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid

C18H15NO2 — CID 162352589

IUPAC3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid
SMILESO=C(O)CCc1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H15NO2/c20-18(21)8-7-14-9-10-19-12-17(14)16-6-5-13-3-1-2-4-15(13)11-16/h1-6,9-12H,7-8H2,(H,20,21)
InChIKeyPXRVMYUOFYWMEY-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.92
Rot. Bonds4

About 3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid

3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid (PubChem CID 162352589) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid
PubChem CID162352589
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid
SMILESO=C(O)CCc1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H15NO2/c20-18(21)8-7-14-9-10-19-12-17(14)16-6-5-13-3-1-2-4-15(13)11-16/h1-6,9-12H,7-8H2,(H,20,21)
InChIKeyPXRVMYUOFYWMEY-UHFFFAOYSA-N
XLogP3.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Isbogrel
CID 5284442
3-Pyridinebutanoic acid
CID 114
Methyl 6-pyridin-3-yl-2-naphthoate
CID 11594132
(Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
CID 6537201
Isoquinoline-6-carboxylic acid
CID 22128831
6-Pyridin-3-yl-3,4-dihydronaphthalen-2(1H)-one
CID 25180108
(Z)-2-(1-naphthyl)-3-(4-pyridyl)prop-2-enamide
CID 5771632
3-[4-(Pyridin-3-ylmethyl)phenyl]propanoic acid;hydrochloride
CID 12882186
2-Methyl-3-[4-(pyridin-3-ylmethyl)phenyl]propanoic acid;hydrochloride
CID 12882191
CID 12904539
CID 12904539
(Z)-7-Naphthalen-2-yl-7-pyridin-3-yl-hept-6-enoic acid
CID 13285830
8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid
CID 13417259

Frequently Asked Questions

What is the IUPAC name of 3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid?
The IUPAC name of 3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid (CID 162352589) is 3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid?
The canonical SMILES for 3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid is O=C(O)CCc1ccncc1-c1ccc2ccccc2c1.
What is the InChIKey of 3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid?
The InChIKey is PXRVMYUOFYWMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-18(21)8-7-14-9-10-19-12-17(14)16-6-5-13-3-1-2-4-15(13)11-16/h1-6,9-12H,7-8H2,(H,20,21).
What are the key properties of 3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid?
3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphthalen-2-yl-4-pyridinyl)propanoic acid is sourced from PubChem (CID 162352589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).