[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone

C14H18ClN3O — CID 166602453

IUPAC[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ccc(Cl)cn2)C1)N1CCCC1
InChIInChI=1S/C14H18ClN3O/c15-12-3-4-13(16-9-12)18-8-5-11(10-18)14(19)17-6-1-2-7-17/h3-4,9,11H,1-2,5-8,10H2
InChIKeyLKRFTFTYVBYNJP-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.18
Rot. Bonds2

About [1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone

[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 166602453) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is [1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID166602453
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(c2ccc(Cl)cn2)C1)N1CCCC1
InChIInChI=1S/C14H18ClN3O/c15-12-3-4-13(16-9-12)18-8-5-11(10-18)14(19)17-6-1-2-7-17/h3-4,9,11H,1-2,5-8,10H2
InChIKeyLKRFTFTYVBYNJP-UHFFFAOYSA-N
XLogP2.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165434726
(3S)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703193
(3R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 125148072
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone
CID 63844432
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902056
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55876732
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(4,4-difluorocyclohexyl)methanone
CID 122156291
(2R)-1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]piperidine-2-carboxylic acid
CID 97317775
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
CID 115871255
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634302

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone (CID 166602453) is [1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(c2ccc(Cl)cn2)C1)N1CCCC1.
What is the InChIKey of [1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LKRFTFTYVBYNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-12-3-4-13(16-9-12)18-8-5-11(10-18)14(19)17-6-1-2-7-17/h3-4,9,11H,1-2,5-8,10H2.
What are the key properties of [1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 279.77 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 166602453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).