methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate

C15H22N2O3 — CID 66286954

IUPACmethyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OCC2CCCCC2CN)ccn1
InChIInChI=1S/C15H22N2O3/c1-19-15(18)14-8-13(6-7-17-14)20-10-12-5-3-2-4-11(12)9-16/h6-8,11-12H,2-5,9-10,16H2,1H3
InChIKeyXRKNJQNILWIPMG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.01
Rot. Bonds5

About methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate

methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate (PubChem CID 66286954) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate
PubChem CID66286954
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OCC2CCCCC2CN)ccn1
InChIInChI=1S/C15H22N2O3/c1-19-15(18)14-8-13(6-7-17-14)20-10-12-5-3-2-4-11(12)9-16/h6-8,11-12H,2-5,9-10,16H2,1H3
InChIKeyXRKNJQNILWIPMG-UHFFFAOYSA-N
XLogP2.01
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate (CID 66286954) is methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate is COC(=O)c1cc(OCC2CCCCC2CN)ccn1.
What is the InChIKey of methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate?
The InChIKey is XRKNJQNILWIPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-15(18)14-8-13(6-7-17-14)20-10-12-5-3-2-4-11(12)9-16/h6-8,11-12H,2-5,9-10,16H2,1H3.
What are the key properties of methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate?
methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(aminomethyl)cyclohexyl]methoxy]pyridine-2-carboxylate is sourced from PubChem (CID 66286954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).