3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one

C19H20N2O2 — CID 141223103

IUPAC3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one
SMILESO=c1[nH]ccc(NC[C@@H](O)c2ccccc2)c1C1C=CC=CC1
InChIInChI=1S/C19H20N2O2/c22-17(14-7-3-1-4-8-14)13-21-16-11-12-20-19(23)18(16)15-9-5-2-6-10-15/h1-9,11-12,15,17,22H,10,13H2,(H2,20,21,23)/t15?,17-/m1/s1
InChIKeyXGEJWOOWFKAZMV-OMOCHNIRSA-N
MW308.38 g/mol
LogP3.12
Rot. Bonds5

About 3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one

3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one (PubChem CID 141223103) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one
PubChem CID141223103
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one
SMILESO=c1[nH]ccc(NC[C@@H](O)c2ccccc2)c1C1C=CC=CC1
InChIInChI=1S/C19H20N2O2/c22-17(14-7-3-1-4-8-14)13-21-16-11-12-20-19(23)18(16)15-9-5-2-6-10-15/h1-9,11-12,15,17,22H,10,13H2,(H2,20,21,23)/t15?,17-/m1/s1
InChIKeyXGEJWOOWFKAZMV-OMOCHNIRSA-N
XLogP3.12
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one with MolForge

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Related Compounds

3-[(2-Hydroxy-2-phenylethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 3134425
D-erythro-MAPP
CID 124735
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
Penipyridone A
CID 132525197
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 6610217
(E)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide
CID 11196418
N-(2-hydroxy-2-phenylethyl)tetradecanamide
CID 71454780
(E)-N-[(2R)-2-hydroxy-2-phenylethyl]-3-phenylprop-2-enamide
CID 145952016
Penipyridone C
CID 132525199
Penipyridone D
CID 132525200
Penipyridone F
CID 132525202
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide
CID 22769485

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one?
The IUPAC name of 3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one (CID 141223103) is 3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one?
The canonical SMILES for 3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one is O=c1[nH]ccc(NC[C@@H](O)c2ccccc2)c1C1C=CC=CC1.
What is the InChIKey of 3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one?
The InChIKey is XGEJWOOWFKAZMV-OMOCHNIRSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-17(14-7-3-1-4-8-14)13-21-16-11-12-20-19(23)18(16)15-9-5-2-6-10-15/h1-9,11-12,15,17,22H,10,13H2,(H2,20,21,23)/t15?,17-/m1/s1.
What are the key properties of 3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one?
3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one has a molecular weight of 308.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-2,4-dien-1-yl-4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 141223103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).