1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one

C18H18N2O — CID 73084017

IUPAC1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one
SMILESCC(c1ccccc1)N1C=CC(=O)CC1c1cccnc1
InChIInChI=1S/C18H18N2O/c1-14(15-6-3-2-4-7-15)20-11-9-17(21)12-18(20)16-8-5-10-19-13-16/h2-11,13-14,18H,12H2,1H3
InChIKeyXHWFYOXJAZWJEG-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.67
Rot. Bonds3

About 1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one

1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one (PubChem CID 73084017) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one
PubChem CID73084017
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one
SMILESCC(c1ccccc1)N1C=CC(=O)CC1c1cccnc1
InChIInChI=1S/C18H18N2O/c1-14(15-6-3-2-4-7-15)20-11-9-17(21)12-18(20)16-8-5-10-19-13-16/h2-11,13-14,18H,12H2,1H3
InChIKeyXHWFYOXJAZWJEG-UHFFFAOYSA-N
XLogP3.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine
CID 101170650
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
methyl (2S)-2-[(2R)-4-oxo-2-phenyl-2,3-dihydropyridin-1-yl]-2-phenylacetate
CID 10087413
1-(1-phenylethyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731176
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691
3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
CID 124758484
3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 141339325
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 56827336

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one?
The IUPAC name of 1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one (CID 73084017) is 1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one is CC(c1ccccc1)N1C=CC(=O)CC1c1cccnc1.
What is the InChIKey of 1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one?
The InChIKey is XHWFYOXJAZWJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14(15-6-3-2-4-7-15)20-11-9-17(21)12-18(20)16-8-5-10-19-13-16/h2-11,13-14,18H,12H2,1H3.
What are the key properties of 1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one?
1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one has a molecular weight of 278.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-2-pyridin-3-yl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 73084017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).