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

C14H20N2O3 — CID 106905300

IUPACmethyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCC(C)C2CO)n1
InChIInChI=1S/C14H20N2O3/c1-10-6-7-16(13(10)9-17)8-11-4-3-5-12(15-11)14(18)19-2/h3-5,10,13,17H,6-9H2,1-2H3
InChIKeyNTIXIAXSXFAAPD-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.07
Rot. Bonds4

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

methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate (PubChem CID 106905300) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate
PubChem CID106905300
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCC(C)C2CO)n1
InChIInChI=1S/C14H20N2O3/c1-10-6-7-16(13(10)9-17)8-11-4-3-5-12(15-11)14(18)19-2/h3-5,10,13,17H,6-9H2,1-2H3
InChIKeyNTIXIAXSXFAAPD-UHFFFAOYSA-N
XLogP1.07
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate with MolForge

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Related Compounds

[1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778604
methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905294
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265
methyl 6-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905086
methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905069
[3-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788259
methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905151
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-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 169097481

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate (CID 106905300) is methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2CCC(C)C2CO)n1.
What is the InChIKey of methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate?
The InChIKey is NTIXIAXSXFAAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-6-7-16(13(10)9-17)8-11-4-3-5-12(15-11)14(18)19-2/h3-5,10,13,17H,6-9H2,1-2H3.
What are the key properties of methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 106905300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).