methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate

C14H20N2O3 — CID 106940607

IUPACmethyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COC2CCCC(N)C2)nc1
InChIInChI=1S/C14H20N2O3/c1-18-14(17)10-5-6-12(16-8-10)9-19-13-4-2-3-11(15)7-13/h5-6,8,11,13H,2-4,7,9,15H2,1H3
InChIKeyBPBYWOYFPJXXIK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.65
Rot. Bonds4

About methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate

methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate (PubChem CID 106940607) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate
PubChem CID106940607
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COC2CCCC(N)C2)nc1
InChIInChI=1S/C14H20N2O3/c1-18-14(17)10-5-6-12(16-8-10)9-19-13-4-2-3-11(15)7-13/h5-6,8,11,13H,2-4,7,9,15H2,1H3
InChIKeyBPBYWOYFPJXXIK-UHFFFAOYSA-N
XLogP1.65
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate
CID 113414185
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate
CID 106132514
methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate
CID 83212715
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 3-(3-aminocyclohexyl)oxybenzoate
CID 117053613
methyl 6-(cyclopentylamino)pyridine-3-carboxylate
CID 154654018
methyl 3-bromo-4-[(3-methylcyclohexyl)oxymethyl]benzoate
CID 102765436
methyl 6-(3-aminopropyl)pyridine-3-carboxylate
CID 57039015
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
methyl 6-[(2-amino-6-fluorophenoxy)methyl]pyridine-3-carboxylate
CID 104831209

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate (CID 106940607) is methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate is COC(=O)c1ccc(COC2CCCC(N)C2)nc1.
What is the InChIKey of methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate?
The InChIKey is BPBYWOYFPJXXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-14(17)10-5-6-12(16-8-10)9-19-13-4-2-3-11(15)7-13/h5-6,8,11,13H,2-4,7,9,15H2,1H3.
What are the key properties of methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate?
methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-aminocyclohexyl)oxymethyl]pyridine-3-carboxylate is sourced from PubChem (CID 106940607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).