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

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Related Compounds

4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one
CID 19032545
4-(2-methoxyanilino)cyclohexan-1-one
CID 117027862
3-ethoxy-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridin-4-amine
CID 19694045
3-methoxy-2-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxyimino]cyclohexyl]pyridin-4-amine
CID 19032535
4-(cyclopropylmethoxy)-3-methoxy-2-methylpyridine
CID 10535781
4-(5-chloro-2-methylanilino)cyclohexan-1-one
CID 117027853
4-(4-tert-butylcyclohexyl)oxy-3-methoxy-2-methylpyridine
CID 54349060
[4-[(6,7-dimethoxyquinolin-4-yl)amino]cyclohexyl]methanesulfonamide
CID 158306742
N-(4-tert-butylcyclohexyl)-3-methoxy-2-(prop-2-enoxymethyl)pyridin-4-amine
CID 19032509
6,7-dimethoxy-4-[[4-(sulfinatoamino)cyclohexyl]amino]quinoline
CID 155099947
3-chloro-N-cyclopentyl-2-methoxyaniline
CID 115884195
6-(3,5-dimethylpyrazol-1-yl)-2-[4-[(6-methoxyquinolin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126936973

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).