methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate

C13H19N3O2 — CID 106905151

IUPACmethyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CC(C)C(N)C2)n1
InChIInChI=1S/C13H19N3O2/c1-9-6-16(8-11(9)14)7-10-4-3-5-12(15-10)13(17)18-2/h3-5,9,11H,6-8,14H2,1-2H3
InChIKeyBWGFRRHWHFQCSN-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.65
Rot. Bonds3

About methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate

methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate (PubChem CID 106905151) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
PubChem CID106905151
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CC(C)C(N)C2)n1
InChIInChI=1S/C13H19N3O2/c1-9-6-16(8-11(9)14)7-10-4-3-5-12(15-10)13(17)18-2/h3-5,9,11H,6-8,14H2,1-2H3
InChIKeyBWGFRRHWHFQCSN-UHFFFAOYSA-N
XLogP0.65
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265
methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905294
methyl 6-[[4-(aminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905061
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933
methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905300
methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905086
methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate
CID 106905132
tert-butyl 4-[(6-methoxycarbonyl-2-pyridinyl)methyl]piperazine-1-carboxylate
CID 170903622
methyl 6-[[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 155498400
methyl 6-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]pyridine-2-carboxylate
CID 155912463
methyl 6-[[(1S,18R)-14-[(6-methoxycarbonyl-2-pyridinyl)methyl]-2,8,11,17-tetraoxa-5,14-diazabicyclo[16.3.0]henicosan-5-yl]methyl]pyridine-2-carboxylate
CID 155283747
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate (CID 106905151) is methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2CC(C)C(N)C2)n1.
What is the InChIKey of methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate?
The InChIKey is BWGFRRHWHFQCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-6-16(8-11(9)14)7-10-4-3-5-12(15-10)13(17)18-2/h3-5,9,11H,6-8,14H2,1-2H3.
What are the key properties of methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 106905151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).