(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone

C16H17NO — CID 113297046

IUPAC(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone
SMILESCc1cncc(C(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H17NO/c1-11(2)13-4-6-14(7-5-13)16(18)15-8-12(3)9-17-10-15/h4-11H,1-3H3
InChIKeySJFYCPHKWNDOOJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.74
Rot. Bonds3

About (5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone

(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone (PubChem CID 113297046) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone
PubChem CID113297046
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone
SMILESCc1cncc(C(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H17NO/c1-11(2)13-4-6-14(7-5-13)16(18)15-8-12(3)9-17-10-15/h4-11H,1-3H3
InChIKeySJFYCPHKWNDOOJ-UHFFFAOYSA-N
XLogP3.74
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103449
(3-fluoro-4-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373910
(5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 115791642
bis[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 175028930
(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115374080
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
(4-fluoro-3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 65299129
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
(4-methylphenyl)-[4-[2-[4-(4-propan-2-ylbenzoyl)phenyl]ethynyl]phenyl]methanone
CID 91278479
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
(3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 107944693
(5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone
CID 115373915

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone (CID 113297046) is (5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone is Cc1cncc(C(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is SJFYCPHKWNDOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11(2)13-4-6-14(7-5-13)16(18)15-8-12(3)9-17-10-15/h4-11H,1-3H3.
What are the key properties of (5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone?
(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 239.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 113297046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).