1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone

C18H27N3O3 — CID 131683075

IUPAC1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(C)CC(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21
InChIInChI=1S/C18H27N3O3/c1-13(2)20(3)12-17(22)21-11-16(18-15(21)7-5-9-23-18)24-14-6-4-8-19-10-14/h4,6,8,10,13,15-16,18H,5,7,9,11-12H2,1-3H3/t15-,16+,18+/m1/s1
InChIKeyYGPFRBCBFVDAEH-RYRKJORJSA-N
MW333.43 g/mol
LogP1.56
Rot. Bonds5

About 1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone

1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 131683075) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
PubChem CID131683075
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
SMILESCC(C)N(C)CC(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21
InChIInChI=1S/C18H27N3O3/c1-13(2)20(3)12-17(22)21-11-16(18-15(21)7-5-9-23-18)24-14-6-4-8-19-10-14/h4,6,8,10,13,15-16,18H,5,7,9,11-12H2,1-3H3/t15-,16+,18+/m1/s1
InChIKeyYGPFRBCBFVDAEH-RYRKJORJSA-N
XLogP1.56
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(3R,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-cyclopentylethanone;2,2,2-trifluoroacetic acid
CID 155828127
[(3R,3aR,7aS)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 133136527
[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(furan-3-yl)methanone
CID 98777580
[(3R,3aR,7aS)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 133142280
[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(1H-pyrrol-3-yl)methanone
CID 131683319
(3S,3aS,7aR)-N,N-dimethyl-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 127023494
(3R,3aR,7aS)-1-cyclopropylsulfonyl-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 133137092
2-[(3S,3aR,7aS)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-N,N-diethylethanamine
CID 125188332
[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone
CID 97380668
(3R,3aR,7aR)-1-(pyridin-2-ylmethyl)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 133139675
[(4aS,7S,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyridazin-4-ylmethanone
CID 97365930
(3S,3aS,7aS)-1-(pyridin-2-ylmethyl)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97380776

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone (CID 131683075) is 1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone is CC(C)N(C)CC(=O)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21.
What is the InChIKey of 1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
The InChIKey is YGPFRBCBFVDAEH-RYRKJORJSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(2)20(3)12-17(22)21-11-16(18-15(21)7-5-9-23-18)24-14-6-4-8-19-10-14/h4,6,8,10,13,15-16,18H,5,7,9,11-12H2,1-3H3/t15-,16+,18+/m1/s1.
What are the key properties of 1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 333.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,3aS,7aR)-3-pyridin-3-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 131683075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).