4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one

C13H18N2O — CID 79120526

IUPAC4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one
SMILESCc1ccnc(N(C)C2CCC(=O)CC2)c1
InChIInChI=1S/C13H18N2O/c1-10-7-8-14-13(9-10)15(2)11-3-5-12(16)6-4-11/h7-9,11H,3-6H2,1-2H3
InChIKeyWSAKWEBXHJJRJE-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.34
Rot. Bonds2

About 4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one

4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one (PubChem CID 79120526) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one
PubChem CID79120526
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one
SMILESCc1ccnc(N(C)C2CCC(=O)CC2)c1
InChIInChI=1S/C13H18N2O/c1-10-7-8-14-13(9-10)15(2)11-3-5-12(16)6-4-11/h7-9,11H,3-6H2,1-2H3
InChIKeyWSAKWEBXHJJRJE-UHFFFAOYSA-N
XLogP2.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one (CID 79120526) is 4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one is Cc1ccnc(N(C)C2CCC(=O)CC2)c1.
What is the InChIKey of 4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one?
The InChIKey is WSAKWEBXHJJRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-7-8-14-13(9-10)15(2)11-3-5-12(16)6-4-11/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one?
4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one has a molecular weight of 218.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methyl-2-pyridinyl)amino]cyclohexan-1-one is sourced from PubChem (CID 79120526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).