pyridin-4-yl-(2,3,4-trimethylphenyl)methanone

C15H15NO — CID 157331171

IUPACpyridin-4-yl-(2,3,4-trimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccncc2)c(C)c1C
InChIInChI=1S/C15H15NO/c1-10-4-5-14(12(3)11(10)2)15(17)13-6-8-16-9-7-13/h4-9H,1-3H3
InChIKeyPPJBDVXYUJFRSS-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.24
Rot. Bonds2

About pyridin-4-yl-(2,3,4-trimethylphenyl)methanone

pyridin-4-yl-(2,3,4-trimethylphenyl)methanone (PubChem CID 157331171) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is pyridin-4-yl-(2,3,4-trimethylphenyl)methanone.

Molecular Properties

Compound Namepyridin-4-yl-(2,3,4-trimethylphenyl)methanone
PubChem CID157331171
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Namepyridin-4-yl-(2,3,4-trimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccncc2)c(C)c1C
InChIInChI=1S/C15H15NO/c1-10-4-5-14(12(3)11(10)2)15(17)13-6-8-16-9-7-13/h4-9H,1-3H3
InChIKeyPPJBDVXYUJFRSS-UHFFFAOYSA-N
XLogP3.24
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
[4-(difluoromethyl)-2-methylphenyl]-pyridin-4-ylmethanone
CID 118829696
(2-amino-4-methylphenyl)-pyridin-4-ylmethanone
CID 69388421
(2,4-dimethylphenyl)-(2,3,4-trimethylphenyl)methanone
CID 70628642
2,3,4-trimethylbenzamide;hydrochloride
CID 67157686
[3-amino-4-(pyridine-4-carbonyl)phenyl]-pyridin-4-ylmethanone
CID 176900459
(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone
CID 62789749
1-(2,3,4-trimethylphenyl)propan-1-one
CID 19901190
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-4-carboxylate
CID 7783733
2-(2,3,4-trimethylbenzoyl)bicyclo[2.2.1]hepta-1,3,5-trien-7-one
CID 174646726
6,7-dimethyl-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 52998483
(3-ethylphenyl)-(2,3,4-trimethylphenyl)methanone;phosphenous acid
CID 130476140

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-(2,3,4-trimethylphenyl)methanone?
The IUPAC name of pyridin-4-yl-(2,3,4-trimethylphenyl)methanone (CID 157331171) is pyridin-4-yl-(2,3,4-trimethylphenyl)methanone.
What is the SMILES notation for pyridin-4-yl-(2,3,4-trimethylphenyl)methanone?
The canonical SMILES for pyridin-4-yl-(2,3,4-trimethylphenyl)methanone is Cc1ccc(C(=O)c2ccncc2)c(C)c1C.
What is the InChIKey of pyridin-4-yl-(2,3,4-trimethylphenyl)methanone?
The InChIKey is PPJBDVXYUJFRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-10-4-5-14(12(3)11(10)2)15(17)13-6-8-16-9-7-13/h4-9H,1-3H3.
What are the key properties of pyridin-4-yl-(2,3,4-trimethylphenyl)methanone?
pyridin-4-yl-(2,3,4-trimethylphenyl)methanone has a molecular weight of 225.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-(2,3,4-trimethylphenyl)methanone is sourced from PubChem (CID 157331171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).