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

C15H23N3O2 — CID 62471191

IUPACmethyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
SMILESCCCNc1ncccc1CN1CCCC1C(=O)OC
InChIInChI=1S/C15H23N3O2/c1-3-8-16-14-12(6-4-9-17-14)11-18-10-5-7-13(18)15(19)20-2/h4,6,9,13H,3,5,7-8,10-11H2,1-2H3,(H,16,17)
InChIKeyWULUMDRDVIJHDY-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.04
Rot. Bonds6

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

methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate (PubChem CID 62471191) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
PubChem CID62471191
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
SMILESCCCNc1ncccc1CN1CCCC1C(=O)OC
InChIInChI=1S/C15H23N3O2/c1-3-8-16-14-12(6-4-9-17-14)11-18-10-5-7-13(18)15(19)20-2/h4,6,9,13H,3,5,7-8,10-11H2,1-2H3,(H,16,17)
InChIKeyWULUMDRDVIJHDY-UHFFFAOYSA-N
XLogP2.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 62470053
methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62470832
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
4-[[2-(propylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83095743
N-propyl-3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470751
1-[4-[[2-(propylamino)-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 62470561
3-[(3-methylpyrrolidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 55075699
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
3-[(4-methylpiperidin-1-yl)methyl]-N-propylpyridin-2-amine
CID 62470200
methyl (2R)-1-(quinolin-4-ylmethyl)piperidine-2-carboxylate
CID 115537863
ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62895670
methyl (2R)-1-[(2-bromophenyl)methyl]piperidine-2-carboxylate
CID 79833485

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate (CID 62471191) is methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate is CCCNc1ncccc1CN1CCCC1C(=O)OC.
What is the InChIKey of methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is WULUMDRDVIJHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-8-16-14-12(6-4-9-17-14)11-18-10-5-7-13(18)15(19)20-2/h4,6,9,13H,3,5,7-8,10-11H2,1-2H3,(H,16,17).
What are the key properties of methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate?
methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(propylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62471191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).