1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one

C24H27NO — CID 129109680

IUPAC1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1cc(-c2ccccc2C)c(CC)c(C2=CCC(C)C=C2)n1
InChIInChI=1S/C24H27NO/c1-5-19-21(20-10-8-7-9-17(20)4)15-22(23(26)6-2)25-24(19)18-13-11-16(3)12-14-18/h7-11,13-16H,5-6,12H2,1-4H3
InChIKeyFCRMCXJFJYXWBE-UHFFFAOYSA-N
MW345.49 g/mol
LogP6.19
Rot. Bonds5

About 1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one

1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one (PubChem CID 129109680) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one
PubChem CID129109680
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1cc(-c2ccccc2C)c(CC)c(C2=CCC(C)C=C2)n1
InChIInChI=1S/C24H27NO/c1-5-19-21(20-10-8-7-9-17(20)4)15-22(23(26)6-2)25-24(19)18-13-11-16(3)12-14-18/h7-11,13-16H,5-6,12H2,1-4H3
InChIKeyFCRMCXJFJYXWBE-UHFFFAOYSA-N
XLogP6.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one (CID 129109680) is 1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one is CCC(=O)c1cc(-c2ccccc2C)c(CC)c(C2=CCC(C)C=C2)n1.
What is the InChIKey of 1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one?
The InChIKey is FCRMCXJFJYXWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-5-19-21(20-10-8-7-9-17(20)4)15-22(23(26)6-2)25-24(19)18-13-11-16(3)12-14-18/h7-11,13-16H,5-6,12H2,1-4H3.
What are the key properties of 1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one?
1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one has a molecular weight of 345.49 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-6-(4-methylcyclohexa-1,5-dien-1-yl)-4-(2-methylphenyl)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 129109680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).