ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone

C16H19NO — CID 176552178

IUPACethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCC.Cc1ccc(C(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C14H13NO.C2H6/c1-10-3-6-12(7-4-10)14(16)13-8-5-11(2)15-9-13;1-2/h3-9H,1-2H3;1-2H3
InChIKeyOAQNWEUABWWODZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.96
Rot. Bonds2

About ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone

ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone (PubChem CID 176552178) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Nameethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
PubChem CID176552178
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Nameethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
SMILESCC.Cc1ccc(C(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C14H13NO.C2H6/c1-10-3-6-12(7-4-10)14(16)13-8-5-11(2)15-9-13;1-2/h3-9H,1-2H3;1-2H3
InChIKeyOAQNWEUABWWODZ-UHFFFAOYSA-N
XLogP3.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone 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

(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103376
(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone
CID 107976815
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
(2-methoxy-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 106790353
(3-aminophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116548510
(4-amino-3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanone
CID 116609756
(3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone
CID 103214088
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 45100248
2-(6-methyl-3-pyridinyl)-2-oxoacetamide
CID 57047401
(2-methylfuran-3-yl)-(6-methyl-3-pyridinyl)methanone
CID 104789232
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone (CID 176552178) is ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone is CC.Cc1ccc(C(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone?
The InChIKey is OAQNWEUABWWODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.C2H6/c1-10-3-6-12(7-4-10)14(16)13-8-5-11(2)15-9-13;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone?
ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone has a molecular weight of 241.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 176552178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).