[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone

C18H25N3O2 — CID 146080081

IUPAC[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone
SMILESCCOc1ccc(C(=O)N2CC(N3CC4CCCC4C3)C2)cn1
InChIInChI=1S/C18H25N3O2/c1-2-23-17-7-6-13(8-19-17)18(22)21-11-16(12-21)20-9-14-4-3-5-15(14)10-20/h6-8,14-16H,2-5,9-12H2,1H3
InChIKeyZLZGOLJHGAESHW-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.04
Rot. Bonds4

About [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone

[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone (PubChem CID 146080081) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone
PubChem CID146080081
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone
SMILESCCOc1ccc(C(=O)N2CC(N3CC4CCCC4C3)C2)cn1
InChIInChI=1S/C18H25N3O2/c1-2-23-17-7-6-13(8-19-17)18(22)21-11-16(12-21)20-9-14-4-3-5-15(14)10-20/h6-8,14-16H,2-5,9-12H2,1H3
InChIKeyZLZGOLJHGAESHW-UHFFFAOYSA-N
XLogP2.04
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone with MolForge

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Related Compounds

(2S,3aR,7aS)-1-(6-ethoxypyridine-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124683824
(6-ethoxy-3-pyridinyl)-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
CID 99876631
[4-(6-ethoxypyridine-3-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 87002326
(6-ethoxy-3-pyridinyl)-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526596
(6-ethoxy-3-pyridinyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526598
(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975635
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 146078584
tert-butyl N-[1-(6-ethoxypyridine-3-carbonyl)-4-methylpyrrolidin-3-yl]carbamate
CID 119035699
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
2-[4-(6-ethoxypyridine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248952
(6-ethoxy-3-pyridinyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638410
[6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 75375282

Frequently Asked Questions

What is the IUPAC name of [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone?
The IUPAC name of [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone (CID 146080081) is [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone.
What is the SMILES notation for [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone?
The canonical SMILES for [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone is CCOc1ccc(C(=O)N2CC(N3CC4CCCC4C3)C2)cn1.
What is the InChIKey of [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone?
The InChIKey is ZLZGOLJHGAESHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-23-17-7-6-13(8-19-17)18(22)21-11-16(12-21)20-9-14-4-3-5-15(14)10-20/h6-8,14-16H,2-5,9-12H2,1H3.
What are the key properties of [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone?
[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone has a molecular weight of 315.42 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-(6-ethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 146080081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).