1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone

C18H20N2O2 — CID 102539508

IUPAC1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cccnc1OCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-14(21)20-12-6-10-17(20)16-9-5-11-19-18(16)22-13-15-7-3-2-4-8-15/h2-5,7-9,11,17H,6,10,12-13H2,1H3
InChIKeyGYTMFFXAYDAPLX-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.34
Rot. Bonds4

About 1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone

1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone (PubChem CID 102539508) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone
PubChem CID102539508
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCCC1c1cccnc1OCc1ccccc1
InChIInChI=1S/C18H20N2O2/c1-14(21)20-12-6-10-17(20)16-9-5-11-19-18(16)22-13-15-7-3-2-4-8-15/h2-5,7-9,11,17H,6,10,12-13H2,1H3
InChIKeyGYTMFFXAYDAPLX-UHFFFAOYSA-N
XLogP3.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpyrrolidin-2-yl)-2-phenylmethoxypyridine
CID 102539504
benzyl 2-(2-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxylate
CID 102541489
phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone
CID 102539451
benzyl 2-(2-anilino-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102540544
3-cyclooctyl-2-phenylmethoxypyridine
CID 163522347
1-[2-[2-[di(propan-2-yl)amino]-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540000
benzyl 2-(2-piperazin-1-yl-3-pyridinyl)pyrrolidine-1-carboxylate
CID 102541660
1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102539767
tert-butyl N-[3-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]carbamate
CID 102540671
1-[2-[2-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540255
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone (CID 102539508) is 1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCCC1c1cccnc1OCc1ccccc1.
What is the InChIKey of 1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone?
The InChIKey is GYTMFFXAYDAPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14(21)20-12-6-10-17(20)16-9-5-11-19-18(16)22-13-15-7-3-2-4-8-15/h2-5,7-9,11,17H,6,10,12-13H2,1H3.
What are the key properties of 1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone?
1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone has a molecular weight of 296.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenylmethoxy-3-pyridinyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 102539508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).