3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid

C18H13NO2 — CID 54298890

IUPAC3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid
SMILESO=C(O)C(=Cc1cccc2ccccc12)c1cccnc1
InChIInChI=1S/C18H13NO2/c20-18(21)17(15-8-4-10-19-12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-12H,(H,20,21)
InChIKeySCTOANZSSQRSNR-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.86
Rot. Bonds3

About 3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid

3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid (PubChem CID 54298890) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid.

Molecular Properties

Compound Name3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid
PubChem CID54298890
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid
SMILESO=C(O)C(=Cc1cccc2ccccc12)c1cccnc1
InChIInChI=1S/C18H13NO2/c20-18(21)17(15-8-4-10-19-12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-12H,(H,20,21)
InChIKeySCTOANZSSQRSNR-UHFFFAOYSA-N
XLogP3.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
3-pyridin-3-yl-2-pyrimidin-5-ylprop-2-enoic acid
CID 129285754
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
(E)-N-(diaminomethylidene)-3-(2-phenylphenyl)-2-pyridin-3-ylprop-2-enamide
CID 146030557
2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
CID 1099149
(Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 67704950
(Z)-2-phenyl-3-[6-[(2-pyridin-3-ylacetyl)amino]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid
CID 69377492
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17366428
(E)-3-(2-hydroxynaphthalen-1-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 82185423
1-naphthalen-1-yl-3-(pyridine-3-carbonylamino)urea
CID 1225748
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid?
The IUPAC name of 3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid (CID 54298890) is 3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid.
What is the SMILES notation for 3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid?
The canonical SMILES for 3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid is O=C(O)C(=Cc1cccc2ccccc12)c1cccnc1.
What is the InChIKey of 3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid?
The InChIKey is SCTOANZSSQRSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-18(21)17(15-8-4-10-19-12-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-12H,(H,20,21).
What are the key properties of 3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid?
3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid has a molecular weight of 275.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-2-pyridin-3-ylprop-2-enoic acid is sourced from PubChem (CID 54298890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).