1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one

C16H17NO — CID 62551189

IUPAC1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
SMILESCc1ccc(CC(=O)Cc2cccnc2)cc1C
InChIInChI=1S/C16H17NO/c1-12-5-6-14(8-13(12)2)9-16(18)10-15-4-3-7-17-11-15/h3-8,11H,9-10H2,1-2H3
InChIKeyKFNNRPYUAVEHAY-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.05
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one

1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one (PubChem CID 62551189) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
PubChem CID62551189
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
SMILESCc1ccc(CC(=O)Cc2cccnc2)cc1C
InChIInChI=1S/C16H17NO/c1-12-5-6-14(8-13(12)2)9-16(18)10-15-4-3-7-17-11-15/h3-8,11H,9-10H2,1-2H3
InChIKeyKFNNRPYUAVEHAY-UHFFFAOYSA-N
XLogP3.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
1-(3,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-one
CID 55096177
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
[4-(pyridin-3-ylmethoxy)phenyl]methyl 2-(3,4-dimethylphenyl)acetate
CID 167943972
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
1-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-2-one
CID 15055632
2-pyridin-3-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 110697139
2-(3,4-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 82123368
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
3-(3,4-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 91761122

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one (CID 62551189) is 1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one is Cc1ccc(CC(=O)Cc2cccnc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one?
The InChIKey is KFNNRPYUAVEHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-5-6-14(8-13(12)2)9-16(18)10-15-4-3-7-17-11-15/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one?
1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one has a molecular weight of 239.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one is sourced from PubChem (CID 62551189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).