4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one

C13H18N2O2 — CID 19693951

IUPAC4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one
SMILESCOc1c(NC2CCC(=O)CC2)ccnc1C
InChIInChI=1S/C13H18N2O2/c1-9-13(17-2)12(7-8-14-9)15-10-3-5-11(16)6-4-10/h7-8,10H,3-6H2,1-2H3,(H,14,15)
InChIKeyXWWPJKVBZNOSPN-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.32
Rot. Bonds3

About 4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one

4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one (PubChem CID 19693951) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one
PubChem CID19693951
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one
SMILESCOc1c(NC2CCC(=O)CC2)ccnc1C
InChIInChI=1S/C13H18N2O2/c1-9-13(17-2)12(7-8-14-9)15-10-3-5-11(16)6-4-10/h7-8,10H,3-6H2,1-2H3,(H,14,15)
InChIKeyXWWPJKVBZNOSPN-UHFFFAOYSA-N
XLogP2.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one 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-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one?
The IUPAC name of 4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one (CID 19693951) is 4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one.
What is the SMILES notation for 4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one?
The canonical SMILES for 4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one is COc1c(NC2CCC(=O)CC2)ccnc1C.
What is the InChIKey of 4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one?
The InChIKey is XWWPJKVBZNOSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-13(17-2)12(7-8-14-9)15-10-3-5-11(16)6-4-10/h7-8,10H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one?
4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one has a molecular weight of 234.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-2-methyl-4-pyridinyl)amino]cyclohexan-1-one is sourced from PubChem (CID 19693951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).