methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate

C14H20N2O3 — CID 21188394

IUPACmethyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
SMILESCOC(=O)N1C2CCC1C(C1(OC)C=CC=CN1)C2
InChIInChI=1S/C14H20N2O3/c1-18-13(17)16-10-5-6-12(16)11(9-10)14(19-2)7-3-4-8-15-14/h3-4,7-8,10-12,15H,5-6,9H2,1-2H3
InChIKeyISGRLXMMCVTQNC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.62
Rot. Bonds2

About methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate

methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate (PubChem CID 21188394) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
PubChem CID21188394
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
SMILESCOC(=O)N1C2CCC1C(C1(OC)C=CC=CN1)C2
InChIInChI=1S/C14H20N2O3/c1-18-13(17)16-10-5-6-12(16)11(9-10)14(19-2)7-3-4-8-15-14/h3-4,7-8,10-12,15H,5-6,9H2,1-2H3
InChIKeyISGRLXMMCVTQNC-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate with MolForge

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Related Compounds

methyl (1R,2R,5S)-2-hydroxy-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 10821848
methyl (1R,2R,4S)-2-pyridin-3-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10657207
methyl (1S,2S,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 102123810
tert-butyl (1S,2S,3R,5R)-2-fluoro-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 97290213
methyl 9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 13414047
methyl (1R,4R,6S)-4-trimethylsilyloxy-10-azatricyclo[4.3.1.02,4]decane-10-carboxylate
CID 11822148
methyl 3-(2,3,4,5,6-pentafluorophenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19857919
tert-butyl 2-[hydroxy(methoxy)methyl]-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 146201694
tert-butyl 2-ethyl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 90442482
tert-butyl 3-(cyclopropanecarbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171939001
dimethyl (1R,4S,5S)-5-hydroxy-2,3-diazabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 131872409
methyl 8-benzoyl-3-hydroxy-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 21155606

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate?
The IUPAC name of methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate (CID 21188394) is methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate?
The canonical SMILES for methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate is COC(=O)N1C2CCC1C(C1(OC)C=CC=CN1)C2.
What is the InChIKey of methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate?
The InChIKey is ISGRLXMMCVTQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-13(17)16-10-5-6-12(16)11(9-10)14(19-2)7-3-4-8-15-14/h3-4,7-8,10-12,15H,5-6,9H2,1-2H3.
What are the key properties of methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate?
methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-1H-pyridin-2-yl)-7-azabicyclo[2.2.1]heptane-7-carboxylate is sourced from PubChem (CID 21188394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).