3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one

C23H23NO — CID 172556894

IUPAC3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one
SMILESCC(=O)C(CC(c1ccccc1)c1ccccc1)c1cc(C)ccn1
InChIInChI=1S/C23H23NO/c1-17-13-14-24-23(15-17)21(18(2)25)16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,21-22H,16H2,1-2H3
InChIKeyOSIOPFGFNBVPGR-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.28
Rot. Bonds6

About 3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one

3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one (PubChem CID 172556894) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one.

Molecular Properties

Compound Name3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one
PubChem CID172556894
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one
SMILESCC(=O)C(CC(c1ccccc1)c1ccccc1)c1cc(C)ccn1
InChIInChI=1S/C23H23NO/c1-17-13-14-24-23(15-17)21(18(2)25)16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,21-22H,16H2,1-2H3
InChIKeyOSIOPFGFNBVPGR-UHFFFAOYSA-N
XLogP5.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methyl-2-pyridinyl)-phenylmethanamine
CID 571849
4-methyl-2-(1-phenyltridecyl)pyridine
CID 174881850
(2S)-2-amino-N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 104897124
2-amino-2-(4-methyl-2-pyridinyl)acetic acid
CID 55293255
1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
CID 75503769
2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid
CID 170823470
tert-butyl 4,4-diphenyl-2-pyridin-2-ylbutanoate
CID 170554812
N-(4-methyl-2-pyridinyl)-2-phenylacetamide
CID 4232423
4-amino-N-(4-methyl-2-pyridinyl)-4-phenylbutanamide
CID 63324069
2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
2-(4-methyl-2-pyridinyl)propanoic acid tetrafluoroborate
CID 175113550
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one?
The IUPAC name of 3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one (CID 172556894) is 3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one.
What is the SMILES notation for 3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one?
The canonical SMILES for 3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one is CC(=O)C(CC(c1ccccc1)c1ccccc1)c1cc(C)ccn1.
What is the InChIKey of 3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one?
The InChIKey is OSIOPFGFNBVPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-17-13-14-24-23(15-17)21(18(2)25)16-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,21-22H,16H2,1-2H3.
What are the key properties of 3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one?
3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one has a molecular weight of 329.44 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-pyridinyl)-5,5-diphenylpentan-2-one is sourced from PubChem (CID 172556894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).