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

C14H20N2O3 — CID 19032545

IUPAC4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one
SMILESCOCc1nccc(NC2CCC(=O)CC2)c1OC
InChIInChI=1S/C14H20N2O3/c1-18-9-13-14(19-2)12(7-8-15-13)16-10-3-5-11(17)6-4-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyHTJPMNVTNXUUSX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.16
Rot. Bonds5

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

4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one (PubChem CID 19032545) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one
PubChem CID19032545
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one
SMILESCOCc1nccc(NC2CCC(=O)CC2)c1OC
InChIInChI=1S/C14H20N2O3/c1-18-9-13-14(19-2)12(7-8-15-13)16-10-3-5-11(17)6-4-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)
InChIKeyHTJPMNVTNXUUSX-UHFFFAOYSA-N
XLogP2.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one?
The IUPAC name of 4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one (CID 19032545) is 4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one.
What is the SMILES notation for 4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one?
The canonical SMILES for 4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one is COCc1nccc(NC2CCC(=O)CC2)c1OC.
What is the InChIKey of 4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one?
The InChIKey is HTJPMNVTNXUUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-9-13-14(19-2)12(7-8-15-13)16-10-3-5-11(17)6-4-10/h7-8,10H,3-6,9H2,1-2H3,(H,15,16).
What are the key properties of 4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one?
4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one has a molecular weight of 264.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methoxy-2-(methoxymethyl)-4-pyridinyl]amino]cyclohexan-1-one is sourced from PubChem (CID 19032545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).