methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate

C13H19N3O2 — CID 113282021

IUPACmethyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate
SMILESCNC1CCN(Cc2ccc(C(=O)OC)cn2)C1
InChIInChI=1S/C13H19N3O2/c1-14-11-5-6-16(8-11)9-12-4-3-10(7-15-12)13(17)18-2/h3-4,7,11,14H,5-6,8-9H2,1-2H3
InChIKeyRPQQWRMOZBGVHU-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.66
Rot. Bonds4

About methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate

methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate (PubChem CID 113282021) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate
PubChem CID113282021
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate
SMILESCNC1CCN(Cc2ccc(C(=O)OC)cn2)C1
InChIInChI=1S/C13H19N3O2/c1-14-11-5-6-16(8-11)9-12-4-3-10(7-15-12)13(17)18-2/h3-4,7,11,14H,5-6,8-9H2,1-2H3
InChIKeyRPQQWRMOZBGVHU-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate
CID 107160829
6-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 114798297
methyl 6-(chloromethyl)pyridine-3-carboxylate;6-(morpholin-4-ylmethyl)pyridine-3-carboxylic acid
CID 162171346
6-[[3-(methylcarbamoyl)piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 103196622
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate
CID 113414185
methyl 6-[(5-bromo-2-cyclopropyl-6-oxopyrimidin-1-yl)methyl]pyridine-3-carboxylate
CID 178112022
methyl 6-[[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]methyl]pyridine-3-carboxylate
CID 59240637
6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]pyridine-3-carboxylic acid
CID 81198910
methyl 4-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]carbamothioylamino]benzoate
CID 100572550
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate (CID 113282021) is methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate is CNC1CCN(Cc2ccc(C(=O)OC)cn2)C1.
What is the InChIKey of methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate?
The InChIKey is RPQQWRMOZBGVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-11-5-6-16(8-11)9-12-4-3-10(7-15-12)13(17)18-2/h3-4,7,11,14H,5-6,8-9H2,1-2H3.
What are the key properties of methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate?
methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 113282021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).