methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate

C13H19N3O2 — CID 62470832

IUPACmethyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
SMILESCNc1ncccc1CN1CCCC1C(=O)OC
InChIInChI=1S/C13H19N3O2/c1-14-12-10(5-3-7-15-12)9-16-8-4-6-11(16)13(17)18-2/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,14,15)
InChIKeyUREWVNPEELUESG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.26
Rot. Bonds4

About methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate

methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate (PubChem CID 62470832) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
PubChem CID62470832
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
SMILESCNc1ncccc1CN1CCCC1C(=O)OC
InChIInChI=1S/C13H19N3O2/c1-14-12-10(5-3-7-15-12)9-16-8-4-6-11(16)13(17)18-2/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,14,15)
InChIKeyUREWVNPEELUESG-UHFFFAOYSA-N
XLogP1.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471191
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 62470053
methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
CID 115537863
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
CID 113219671
methyl 1-[(3-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 103886139
ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62895670
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate (CID 62470832) is methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate is CNc1ncccc1CN1CCCC1C(=O)OC.
What is the InChIKey of methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is UREWVNPEELUESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-12-10(5-3-7-15-12)9-16-8-4-6-11(16)13(17)18-2/h3,5,7,11H,4,6,8-9H2,1-2H3,(H,14,15).
What are the key properties of methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate?
methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62470832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).