1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one

C13H16N2O2 — CID 79541349

IUPAC1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)c1ccncc1
InChIInChI=1S/C13H16N2O2/c1-10(16)9-12-3-2-8-15(12)13(17)11-4-6-14-7-5-11/h4-7,12H,2-3,8-9H2,1H3
InChIKeyABUHYXXVHNBXHC-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.67
Rot. Bonds3

About 1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one

1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one (PubChem CID 79541349) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
PubChem CID79541349
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCN1C(=O)c1ccncc1
InChIInChI=1S/C13H16N2O2/c1-10(16)9-12-3-2-8-15(12)13(17)11-4-6-14-7-5-11/h4-7,12H,2-3,8-9H2,1H3
InChIKeyABUHYXXVHNBXHC-UHFFFAOYSA-N
XLogP1.67
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
1-[1-(quinoxaline-6-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538785
1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79541789
1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538788
1-[1-(4-ethylbenzoyl)azepan-2-yl]propan-2-one
CID 79540812
[2-(hydroxymethyl)azepan-1-yl]-pyridin-4-ylmethanone
CID 116636376
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549380
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one (CID 79541349) is 1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one is CC(=O)CC1CCCN1C(=O)c1ccncc1.
What is the InChIKey of 1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one?
The InChIKey is ABUHYXXVHNBXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(16)9-12-3-2-8-15(12)13(17)11-4-6-14-7-5-11/h4-7,12H,2-3,8-9H2,1H3.
What are the key properties of 1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one?
1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridine-4-carbonyl)pyrrolidin-2-yl]propan-2-one is sourced from PubChem (CID 79541349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).