1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone

C18H21NO — CID 82730236

IUPAC1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCCc1cccnc1C(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21NO/c1-4-15-6-5-11-19-18(15)17(20)12-14-7-9-16(10-8-14)13(2)3/h5-11,13H,4,12H2,1-3H3
InChIKeySJGJEEWJSAXLTD-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.19
Rot. Bonds5

About 1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone

1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 82730236) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID82730236
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCCc1cccnc1C(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H21NO/c1-4-15-6-5-11-19-18(15)17(20)12-14-7-9-16(10-8-14)13(2)3/h5-11,13H,4,12H2,1-3H3
InChIKeySJGJEEWJSAXLTD-UHFFFAOYSA-N
XLogP4.19
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone 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-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
2-(2-chloro-3-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 112653415
1-(3-ethyl-2-pyridinyl)-4,4-dimethylpentan-1-one
CID 82730843
2-ethyl-1-(3-ethyl-2-pyridinyl)butan-1-one
CID 82730694
1-(3-ethyl-2-pyridinyl)octan-1-one
CID 82730570
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730026
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
1-(3-ethyl-2-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 82730025
(Z)-4-methyl-3-[(4-propan-2-ylphenyl)methyl]pent-2-enoic acid
CID 82086217
1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
CID 55221684
1-(3-amino-2-pyridinyl)-2-(4-tert-butylphenyl)ethanone
CID 116613833
2-(4-propan-2-ylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 65363327

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone (CID 82730236) is 1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone is CCc1cccnc1C(=O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is SJGJEEWJSAXLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-4-15-6-5-11-19-18(15)17(20)12-14-7-9-16(10-8-14)13(2)3/h5-11,13H,4,12H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone?
1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 267.37 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 82730236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).