5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide

C13H19N3O2 — CID 171490318

IUPAC5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CN2CCC(OC)C2)cn1
InChIInChI=1S/C13H19N3O2/c1-14-13(17)12-4-3-10(7-15-12)8-16-6-5-11(9-16)18-2/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,14,17)
InChIKeyQVKHHOATVPSXNG-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.66
Rot. Bonds4

About 5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide

5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 171490318) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID171490318
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(CN2CCC(OC)C2)cn1
InChIInChI=1S/C13H19N3O2/c1-14-13(17)12-4-3-10(7-15-12)8-16-6-5-11(9-16)18-2/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,14,17)
InChIKeyQVKHHOATVPSXNG-UHFFFAOYSA-N
XLogP0.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

methyl 5-[[(3R)-3-(3-chlorophenoxy)pyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 166270839
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
5-[[(3R)-3-(2-ethoxy-2-oxoethoxy)pyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid;dihydrochloride
CID 175793234
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
2-ethylsulfanyl-5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]pyrimidine
CID 99929176
methyl 1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 78920357
5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 99950359
tert-butyl N-[[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]phenyl]methyl]-N-methylcarbamate
CID 124567167
5-(bromomethyl)-N-methylpyridine-2-carboxamide
CID 166088325
methyl 5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 121249779
6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106905038

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide (CID 171490318) is 5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(CN2CCC(OC)C2)cn1.
What is the InChIKey of 5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is QVKHHOATVPSXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-13(17)12-4-3-10(7-15-12)8-16-6-5-11(9-16)18-2/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,14,17).
What are the key properties of 5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide?
5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171490318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).