2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one

C20H22N2O — CID 19779674

IUPAC2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one
SMILESCCC(C(=O)c1cccnc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O/c1-2-19(20(23)18-9-6-12-21-15-18)22-13-10-17(11-14-22)16-7-4-3-5-8-16/h3-10,12,15,19H,2,11,13-14H2,1H3
InChIKeyNUXFGMQSAHFEIY-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.83
Rot. Bonds5

About 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one

2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one (PubChem CID 19779674) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one.

Molecular Properties

Compound Name2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one
PubChem CID19779674
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one
SMILESCCC(C(=O)c1cccnc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C20H22N2O/c1-2-19(20(23)18-9-6-12-21-15-18)22-13-10-17(11-14-22)16-7-4-3-5-8-16/h3-10,12,15,19H,2,11,13-14H2,1H3
InChIKeyNUXFGMQSAHFEIY-UHFFFAOYSA-N
XLogP3.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[N-methyl-C-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111263791
N-[2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111263280
2-chloro-1-pyridin-3-ylbutan-1-one
CID 19779673
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]butanenitrile
CID 63337295
2-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)butanoic acid
CID 82098363
iodoethane;pyridine-3-carboxylic acid
CID 158495952
N-[1-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridin-1-yl)-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide
CID 166200211
5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 72908260
bis(4-(4-fluorophenyl)-1-[1-(4-phenylphenyl)ethyl]-3,6-dihydro-2H-pyridine);oxalic acid
CID 174371552
4-(4-fluorophenyl)-1-[1-(4-phenylphenyl)ethyl]-3,6-dihydro-2H-pyridine;oxalic acid
CID 70076703
tert-butyl 4-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58913408
2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 17455797

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one?
The IUPAC name of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one (CID 19779674) is 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one.
What is the SMILES notation for 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one?
The canonical SMILES for 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one is CCC(C(=O)c1cccnc1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one?
The InChIKey is NUXFGMQSAHFEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-2-19(20(23)18-9-6-12-21-15-18)22-13-10-17(11-14-22)16-7-4-3-5-8-16/h3-10,12,15,19H,2,11,13-14H2,1H3.
What are the key properties of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one?
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one has a molecular weight of 306.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1-pyridin-3-ylbutan-1-one is sourced from PubChem (CID 19779674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).