2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide

C13H19N3O — CID 133357626

IUPAC2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(C)C1C
InChIInChI=1S/C13H19N3O/c1-9-6-8-16(10(9)2)12-11(13(17)14-3)5-4-7-15-12/h4-5,7,9-10H,6,8H2,1-3H3,(H,14,17)
InChIKeyJONZAFHVQKZVJF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.68
Rot. Bonds2

About 2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide

2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide (PubChem CID 133357626) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide
PubChem CID133357626
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1N1CCC(C)C1C
InChIInChI=1S/C13H19N3O/c1-9-6-8-16(10(9)2)12-11(13(17)14-3)5-4-7-15-12/h4-5,7,9-10H,6,8H2,1-3H3,(H,14,17)
InChIKeyJONZAFHVQKZVJF-UHFFFAOYSA-N
XLogP1.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62125386
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
N-methyl-2-(4-pyridin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 155950461
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-methylpyridine-3-carboxamide
CID 56901128
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 102786999
(3S,4R)-1-[3-(methylcarbamoyl)-2-pyridinyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 70714830
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133397673
1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742638
N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 155946909
2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133362039
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133320439
N-methyl-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133316798

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide (CID 133357626) is 2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCC(C)C1C.
What is the InChIKey of 2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide?
The InChIKey is JONZAFHVQKZVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-6-8-16(10(9)2)12-11(13(17)14-3)5-4-7-15-12/h4-5,7,9-10H,6,8H2,1-3H3,(H,14,17).
What are the key properties of 2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide?
2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133357626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).