6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide

C13H17N3O2 — CID 95816016

IUPAC6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc([C@@H]2CCCN2C(C)=O)n1
InChIInChI=1S/C13H17N3O2/c1-9(17)16-8-4-7-12(16)10-5-3-6-11(15-10)13(18)14-2/h3,5-6,12H,4,7-8H2,1-2H3,(H,14,18)/t12-/m0/s1
InChIKeyKMTPRIFIBDKLLK-LBPRGKRZSA-N
MW247.30 g/mol
LogP1.12
Rot. Bonds2

About 6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide

6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 95816016) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
PubChem CID95816016
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cccc([C@@H]2CCCN2C(C)=O)n1
InChIInChI=1S/C13H17N3O2/c1-9(17)16-8-4-7-12(16)10-5-3-6-11(15-10)13(18)14-2/h3,5-6,12H,4,7-8H2,1-2H3,(H,14,18)/t12-/m0/s1
InChIKeyKMTPRIFIBDKLLK-LBPRGKRZSA-N
XLogP1.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2R)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 95816015
6-[(2R)-1-cyclopentylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 124947086
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
6-[(2R)-1-(2-hydroxyethyl)pyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 124980249
3-[6-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-methylpropanamide
CID 110269727
1-[2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110271435
1-[(2R)-2-[6-(2-fluorophenoxy)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95846664
1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95730771
1-[2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265055
N-methyl-6-[(2R)-pyrrolidin-2-yl]pyridine-2-carboxamide
CID 95804724
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95815928
2-methyl-1-[(2S)-2-[6-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95821484

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide (CID 95816016) is 6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cccc([C@@H]2CCCN2C(C)=O)n1.
What is the InChIKey of 6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is KMTPRIFIBDKLLK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(17)16-8-4-7-12(16)10-5-3-6-11(15-10)13(18)14-2/h3,5-6,12H,4,7-8H2,1-2H3,(H,14,18)/t12-/m0/s1.
What are the key properties of 6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide?
6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 95816016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).