methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate

C14H20N2O3 — CID 58230935

IUPACmethyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Oc2ccc(N)c(C)n2)CC1
InChIInChI=1S/C14H20N2O3/c1-9-12(15)7-8-13(16-9)19-11-5-3-10(4-6-11)14(17)18-2/h7-8,10-11H,3-6,15H2,1-2H3
InChIKeyDNTGCBNEOXNPNR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.08
Rot. Bonds3

About methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate

methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate (PubChem CID 58230935) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate
PubChem CID58230935
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Oc2ccc(N)c(C)n2)CC1
InChIInChI=1S/C14H20N2O3/c1-9-12(15)7-8-13(16-9)19-11-5-3-10(4-6-11)14(17)18-2/h7-8,10-11H,3-6,15H2,1-2H3
InChIKeyDNTGCBNEOXNPNR-UHFFFAOYSA-N
XLogP2.08
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate (CID 58230935) is methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate is COC(=O)C1CCC(Oc2ccc(N)c(C)n2)CC1.
What is the InChIKey of methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate?
The InChIKey is DNTGCBNEOXNPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-12(15)7-8-13(16-9)19-11-5-3-10(4-6-11)14(17)18-2/h7-8,10-11H,3-6,15H2,1-2H3.
What are the key properties of methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate?
methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-amino-6-methyl-2-pyridinyl)oxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 58230935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).