1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone

C18H20N2O4 — CID 97486235

IUPAC1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21
InChIInChI=1S/C18H20N2O4/c21-17(12-13-4-3-10-22-13)20-9-6-15(18-14(20)7-11-23-18)24-16-5-1-2-8-19-16/h1-5,8,10,14-15,18H,6-7,9,11-12H2/t14-,15+,18-/m0/s1
InChIKeyFMCAKBSTTGWIKV-DAYGRLMNSA-N
MW328.37 g/mol
LogP2.05
Rot. Bonds4

About 1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone

1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone (PubChem CID 97486235) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone
PubChem CID97486235
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21
InChIInChI=1S/C18H20N2O4/c21-17(12-13-4-3-10-22-13)20-9-6-15(18-14(20)7-11-23-18)24-16-5-1-2-8-19-16/h1-5,8,10,14-15,18H,6-7,9,11-12H2/t14-,15+,18-/m0/s1
InChIKeyFMCAKBSTTGWIKV-DAYGRLMNSA-N
XLogP2.05
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone with MolForge

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Related Compounds

[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(4-methyl-2-pyridinyl)methanone
CID 97485914
(4aR,7S,7aS)-4-(furan-2-ylmethyl)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 133140485
[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(5-methyl-2-pyridinyl)methanone
CID 97477974
[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(5-methyl-3-pyridinyl)methanone
CID 97486533
[(3R,3aR,7aS)-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(furan-2-yl)methanone
CID 133137659
[(4aR,7S,7aS)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2-methylfuran-3-yl)methanone
CID 124806519
[(4aR,7R,7aS)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(3-methylfuran-2-yl)methanone
CID 124893418
[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(cyclohexen-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155864189
[(4aR,7R,7aS)-7-pyridin-2-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyrimidin-4-ylmethanone
CID 124792657
[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155826042
[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(3-fluoro-4-methylphenyl)methanone;2,2,2-trifluoroacetic acid
CID 155834088
1-[(3S,3aS,7aR)-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-(5-fluoro-2-pyridinyl)ethanone
CID 131682100

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone?
The IUPAC name of 1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone (CID 97486235) is 1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone is O=C(Cc1ccco1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21.
What is the InChIKey of 1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone?
The InChIKey is FMCAKBSTTGWIKV-DAYGRLMNSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17(12-13-4-3-10-22-13)20-9-6-15(18-14(20)7-11-23-18)24-16-5-1-2-8-19-16/h1-5,8,10,14-15,18H,6-7,9,11-12H2/t14-,15+,18-/m0/s1.
What are the key properties of 1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone?
1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone has a molecular weight of 328.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,7R,7aS)-7-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-2-(furan-2-yl)ethanone is sourced from PubChem (CID 97486235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).