1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile

C20H18N2O — CID 14738980

IUPAC1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile
SMILESCC(=O)N1C(C#N)=CC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C20H18N2O/c1-15(23)22-19(14-21)12-18(16-8-4-2-5-9-16)13-20(22)17-10-6-3-7-11-17/h2-12,18,20H,13H2,1H3
InChIKeyGQPGJRVGSRJPKI-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.17
Rot. Bonds2

About 1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile

1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile (PubChem CID 14738980) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile.

Molecular Properties

Compound Name1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile
PubChem CID14738980
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile
SMILESCC(=O)N1C(C#N)=CC(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C20H18N2O/c1-15(23)22-19(14-21)12-18(16-8-4-2-5-9-16)13-20(22)17-10-6-3-7-11-17/h2-12,18,20H,13H2,1H3
InChIKeyGQPGJRVGSRJPKI-UHFFFAOYSA-N
XLogP4.17
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-diphenylpyrazolidin-1-yl)ethanone
CID 3126002
1-[(5S,7R)-5-(4-methylphenyl)-7-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 7369308
(1E)-N-(2-phenylaziridin-1-yl)ethanimidoyl isocyanate
CID 177465689
(2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one
CID 11894627
1-[7-(4-methoxyphenyl)-5-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanone
CID 6501219
1-[(2S,4R)-2-methyl-2,4-diphenyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethanone
CID 139056759
methyl (3R,4S)-6-cyano-1,4-diphenyl-3,4-dihydro-2H-pyridine-3-carboxylate
CID 10087244
[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693091
(2S,6S)-1-acetyl-3,3-dimethyl-2,6-diphenylpiperidin-4-one
CID 139076949
[(3R,5S)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
CID 15693090
1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 71394500
(Z)-3-phenyl-1-[(4R)-4-phenyl-2-sulfanylidene-1,3-oxazolidin-3-yl]but-2-en-1-one
CID 102071218

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile?
The IUPAC name of 1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile (CID 14738980) is 1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile.
What is the SMILES notation for 1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile?
The canonical SMILES for 1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile is CC(=O)N1C(C#N)=CC(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile?
The InChIKey is GQPGJRVGSRJPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15(23)22-19(14-21)12-18(16-8-4-2-5-9-16)13-20(22)17-10-6-3-7-11-17/h2-12,18,20H,13H2,1H3.
What are the key properties of 1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile?
1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile has a molecular weight of 302.38 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2,4-diphenyl-3,4-dihydro-2H-pyridine-6-carbonitrile is sourced from PubChem (CID 14738980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).