1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone

C12H14N2O2 — CID 168983000

IUPAC1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CCCN1C(=O)c1ccccn1
InChIInChI=1S/C12H14N2O2/c1-9(15)11-6-4-8-14(11)12(16)10-5-2-3-7-13-10/h2-3,5,7,11H,4,6,8H2,1H3
InChIKeyPASXKTMDGXYQJL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.28
Rot. Bonds2

About 1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone

1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone (PubChem CID 168983000) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone
PubChem CID168983000
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone
SMILESCC(=O)C1CCCN1C(=O)c1ccccn1
InChIInChI=1S/C12H14N2O2/c1-9(15)11-6-4-8-14(11)12(16)10-5-2-3-7-13-10/h2-3,5,7,11H,4,6,8H2,1H3
InChIKeyPASXKTMDGXYQJL-UHFFFAOYSA-N
XLogP1.28
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
2-(2-fluorophenyl)ethyl (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 71988037
(5-amino-1-phenylpyrazol-4-yl)-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110239808
1-(2-methylsulfanylacetyl)-N-[4-[(E)-2-[4-[[1-(pyridine-2-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 15980722
[2-(2-hydroxycyclopentyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 79545297
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 95784052
[2-(2-chloroethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 55187043
1-[4-[2-methyl-6-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619790
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
(2S)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 126787082
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
CID 95710719

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone (CID 168983000) is 1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone is CC(=O)C1CCCN1C(=O)c1ccccn1.
What is the InChIKey of 1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone?
The InChIKey is PASXKTMDGXYQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(15)11-6-4-8-14(11)12(16)10-5-2-3-7-13-10/h2-3,5,7,11H,4,6,8H2,1H3.
What are the key properties of 1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone?
1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone has a molecular weight of 218.26 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 168983000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).