(3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone

C15H21NO — CID 64740028

IUPAC(3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone
SMILESCc1ccnc(C(=O)C2CCC(C)C(C)C2)c1
InChIInChI=1S/C15H21NO/c1-10-6-7-16-14(8-10)15(17)13-5-4-11(2)12(3)9-13/h6-8,11-13H,4-5,9H2,1-3H3
InChIKeyBNPMNZILSVIBIR-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.65
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone

(3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone (PubChem CID 64740028) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone
PubChem CID64740028
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone
SMILESCc1ccnc(C(=O)C2CCC(C)C(C)C2)c1
InChIInChI=1S/C15H21NO/c1-10-6-7-16-14(8-10)15(17)13-5-4-11(2)12(3)9-13/h6-8,11-13H,4-5,9H2,1-3H3
InChIKeyBNPMNZILSVIBIR-UHFFFAOYSA-N
XLogP3.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone
CID 64774798
(4-methyl-2-pyridinyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171950288
tert-butyl 3-(4-methylpyridine-2-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950293
(3-amino-2-pyridinyl)-(3,4-dimethylcyclohexyl)methanone
CID 116613730
4-(3,4-dimethylcyclohexyl)sulfanylpyridine-2-carboxylic acid
CID 79555148
methyl 4-methylpyridine-2-carboxylate
CID 10920693
(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975482
(4-chloro-2-fluorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 64739429
(3,4-dimethylcyclohexyl)-thiophen-2-ylmethanone
CID 64740221
(2-bromo-5-chlorophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114026831
(2-bromo-5-iodophenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114026832
4-methyl-N-sulfanylpyridine-2-carboxamide
CID 91479980

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone?
The IUPAC name of (3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone (CID 64740028) is (3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone is Cc1ccnc(C(=O)C2CCC(C)C(C)C2)c1.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone?
The InChIKey is BNPMNZILSVIBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-6-7-16-14(8-10)15(17)13-5-4-11(2)12(3)9-13/h6-8,11-13H,4-5,9H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone?
(3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 64740028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).