methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate

C16H20N2O2 — CID 139349761

IUPACmethyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(CN2CC3CC3C2)cc(C2CC2)n1
InChIInChI=1S/C16H20N2O2/c1-20-16(19)15-5-10(4-14(17-15)11-2-3-11)7-18-8-12-6-13(12)9-18/h4-5,11-13H,2-3,6-9H2,1H3
InChIKeyQHOMSWAUKLTYDW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.20
Rot. Bonds4

About methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate

methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate (PubChem CID 139349761) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate
PubChem CID139349761
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Namemethyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(CN2CC3CC3C2)cc(C2CC2)n1
InChIInChI=1S/C16H20N2O2/c1-20-16(19)15-5-10(4-14(17-15)11-2-3-11)7-18-8-12-6-13(12)9-18/h4-5,11-13H,2-3,6-9H2,1H3
InChIKeyQHOMSWAUKLTYDW-UHFFFAOYSA-N
XLogP2.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate with MolForge

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Related Compounds

methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate
CID 122239307
6-cyclopropyl-N,4-diethylpyridine-2-carboxamide
CID 169246826
methyl 4-[[cyclobutylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-cyclopropylpyridine-2-carboxylate
CID 172589241
dimethyl 4-propylpyridine-2,6-dicarboxylate
CID 138532950
methyl 4-[[(3aS,5R,6R,7aR)-6-hydroxy-2-[(2-methoxy-4-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]oxy]benzoate
CID 172659669
methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate
CID 122239311
methyl 4-[(3-cyclopropylpyrazol-1-yl)methyl]benzoate
CID 64778175
methyl 3-cyclopropyl-1-ethylpyrazole-5-carboxylate
CID 25247505
methyl 4-cyclopropyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66285751
3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 91139311
methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 25247710
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate?
The IUPAC name of methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate (CID 139349761) is methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate is COC(=O)c1cc(CN2CC3CC3C2)cc(C2CC2)n1.
What is the InChIKey of methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate?
The InChIKey is QHOMSWAUKLTYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-20-16(19)15-5-10(4-14(17-15)11-2-3-11)7-18-8-12-6-13(12)9-18/h4-5,11-13H,2-3,6-9H2,1H3.
What are the key properties of methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate?
methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate has a molecular weight of 272.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-6-cyclopropylpyridine-2-carboxylate is sourced from PubChem (CID 139349761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).