3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one

C26H22N2O — CID 90339611

IUPAC3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one
SMILESCc1ccc(-c2ccc(C(CC(=O)c3ccncc3)c3ccccc3)cc2)cn1
InChIInChI=1S/C26H22N2O/c1-19-7-8-24(18-28-19)20-9-11-22(12-10-20)25(21-5-3-2-4-6-21)17-26(29)23-13-15-27-16-14-23/h2-16,18,25H,17H2,1H3
InChIKeyAEFDLFSCDJCUAP-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.86
Rot. Bonds6

About 3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one

3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one (PubChem CID 90339611) has the molecular formula C26H22N2O and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one
PubChem CID90339611
Molecular FormulaC26H22N2O
Molecular Weight378.48 g/mol
Exact Mass378.17
IUPAC Name3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one
SMILESCc1ccc(-c2ccc(C(CC(=O)c3ccncc3)c3ccccc3)cc2)cn1
InChIInChI=1S/C26H22N2O/c1-19-7-8-24(18-28-19)20-9-11-22(12-10-20)25(21-5-3-2-4-6-21)17-26(29)23-13-15-27-16-14-23/h2-16,18,25H,17H2,1H3
InChIKeyAEFDLFSCDJCUAP-UHFFFAOYSA-N
XLogP5.86
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1,3-diphenyl-3-(4-phenylphenyl)propan-1-one
CID 86338470
3-phenyl-1,5-dipyridin-4-ylpentane-1,5-dione
CID 11290437
(2S)-4-methyl-2-[[4-(6-methyl-3-pyridinyl)phenyl]-phenylmethoxy]pentanoic acid
CID 69470864
2-[4-(6-methyl-3-pyridinyl)phenyl]pentanoic acid
CID 68887277
3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)-3-phenylpropan-1-one
CID 67015695
(3S)-3-hydroxy-1-phenyl-3-(4-phenylphenyl)propan-1-one
CID 102595151
4-[4-[3-(2-methyl-4-pyridinyl)-3-oxo-1-[2-(trifluoromethyl)phenyl]propyl]phenyl]benzoic acid
CID 66666575
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanol
CID 63895075
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103376
[2-(4-methylphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 23821920
N-ethyl-3-(4-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 46995859
2-methyl-4-(6-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 104823190

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one?
The IUPAC name of 3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one (CID 90339611) is 3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one?
The canonical SMILES for 3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one is Cc1ccc(-c2ccc(C(CC(=O)c3ccncc3)c3ccccc3)cc2)cn1.
What is the InChIKey of 3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one?
The InChIKey is AEFDLFSCDJCUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O/c1-19-7-8-24(18-28-19)20-9-11-22(12-10-20)25(21-5-3-2-4-6-21)17-26(29)23-13-15-27-16-14-23/h2-16,18,25H,17H2,1H3.
What are the key properties of 3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one?
3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one has a molecular weight of 378.48 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-methyl-3-pyridinyl)phenyl]-3-phenyl-1-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 90339611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).