(4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone

C14H19NO — CID 64774798

IUPAC(4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone
SMILESCc1ccnc(C(=O)C2CCC(C)CC2)c1
InChIInChI=1S/C14H19NO/c1-10-3-5-12(6-4-10)14(16)13-9-11(2)7-8-15-13/h7-10,12H,3-6H2,1-2H3
InChIKeyFGGBUENQKMNPCN-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.40
Rot. Bonds2

About (4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone

(4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone (PubChem CID 64774798) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone
PubChem CID64774798
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone
SMILESCc1ccnc(C(=O)C2CCC(C)CC2)c1
InChIInChI=1S/C14H19NO/c1-10-3-5-12(6-4-10)14(16)13-9-11(2)7-8-15-13/h7-10,12H,3-6H2,1-2H3
InChIKeyFGGBUENQKMNPCN-UHFFFAOYSA-N
XLogP3.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methylcyclohexyl)-(4-methyl-2-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

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone?
The IUPAC name of (4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone (CID 64774798) is (4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone?
The canonical SMILES for (4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone is Cc1ccnc(C(=O)C2CCC(C)CC2)c1.
What is the InChIKey of (4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone?
The InChIKey is FGGBUENQKMNPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-3-5-12(6-4-10)14(16)13-9-11(2)7-8-15-13/h7-10,12H,3-6H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone?
(4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone has a molecular weight of 217.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 64774798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).