1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone

C16H16ClN3O2 — CID 121017510

IUPAC1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C16H16ClN3O2/c17-14-10-19-6-3-15(14)22-13-4-7-20(11-13)16(21)8-12-2-1-5-18-9-12/h1-3,5-6,9-10,13H,4,7-8,11H2
InChIKeyBEWUZJMGKOKNTR-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.35
Rot. Bonds4

About 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone

1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 121017510) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID121017510
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C16H16ClN3O2/c17-14-10-19-6-3-15(14)22-13-4-7-20(11-13)16(21)8-12-2-1-5-18-9-12/h1-3,5-6,9-10,13H,4,7-8,11H2
InChIKeyBEWUZJMGKOKNTR-UHFFFAOYSA-N
XLogP2.35
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 121017511
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
CID 119100246
1-[2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 121017496
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 122256256
3-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626818
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
CID 122256170
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
4-bromo-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 122256280
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 122256404

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone (CID 121017510) is 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCC(Oc2ccncc2Cl)C1.
What is the InChIKey of 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is BEWUZJMGKOKNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-14-10-19-6-3-15(14)22-13-4-7-20(11-13)16(21)8-12-2-1-5-18-9-12/h1-3,5-6,9-10,13H,4,7-8,11H2.
What are the key properties of 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone?
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 317.78 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 121017510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).