1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one

C29H28N2O — CID 150059098

IUPAC1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one
SMILESCc1ccc(CC(C(=O)C(Cc2ccc(C)cc2)c2ccncc2)c2ccncc2)cc1
InChIInChI=1S/C29H28N2O/c1-21-3-7-23(8-4-21)19-27(25-11-15-30-16-12-25)29(32)28(26-13-17-31-18-14-26)20-24-9-5-22(2)6-10-24/h3-18,27-28H,19-20H2,1-2H3
InChIKeyDMXPMWDRPZHECH-UHFFFAOYSA-N
MW420.56 g/mol
LogP6.02
Rot. Bonds8

About 1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one

1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one (PubChem CID 150059098) has the molecular formula C29H28N2O and a molecular weight of 420.56 g/mol. Its IUPAC name is 1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one.

Molecular Properties

Compound Name1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one
PubChem CID150059098
Molecular FormulaC29H28N2O
Molecular Weight420.56 g/mol
Exact Mass420.22
IUPAC Name1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one
SMILESCc1ccc(CC(C(=O)C(Cc2ccc(C)cc2)c2ccncc2)c2ccncc2)cc1
InChIInChI=1S/C29H28N2O/c1-21-3-7-23(8-4-21)19-27(25-11-15-30-16-12-25)29(32)28(26-13-17-31-18-14-26)20-24-9-5-22(2)6-10-24/h3-18,27-28H,19-20H2,1-2H3
InChIKeyDMXPMWDRPZHECH-UHFFFAOYSA-N
XLogP6.02
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-chloro-2-(4-methylphenyl)ethyl]pyridine
CID 63016107
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
2,3-bis(4-methylphenyl)propanehydrazide
CID 70580652
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685
2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
2-pyridin-4-ylbutanamide
CID 67405148
ethyl 2-methyl-3-pyridin-4-ylpropanoate
CID 22939399
1-(4-methylphenyl)-2-pyridin-4-ylethanamine
CID 62550879
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
(4-methylphenyl)-pyridin-4-ylmethanol
CID 3383504

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one?
The IUPAC name of 1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one (CID 150059098) is 1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one.
What is the SMILES notation for 1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one?
The canonical SMILES for 1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one is Cc1ccc(CC(C(=O)C(Cc2ccc(C)cc2)c2ccncc2)c2ccncc2)cc1.
What is the InChIKey of 1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one?
The InChIKey is DMXPMWDRPZHECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O/c1-21-3-7-23(8-4-21)19-27(25-11-15-30-16-12-25)29(32)28(26-13-17-31-18-14-26)20-24-9-5-22(2)6-10-24/h3-18,27-28H,19-20H2,1-2H3.
What are the key properties of 1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one?
1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one has a molecular weight of 420.56 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-methylphenyl)-2,4-dipyridin-4-ylpentan-3-one is sourced from PubChem (CID 150059098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).