5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile

C13H15N3O2 — CID 67065424

IUPAC5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(C2NCC3OC[C@H](O)CC32)c1
InChIInChI=1S/C13H15N3O2/c14-3-8-1-9(5-15-4-8)13-11-2-10(17)7-18-12(11)6-16-13/h1,4-5,10-13,16-17H,2,6-7H2/t10-,11?,12?,13?/m1/s1
InChIKeyOISIAMNBNNVMPK-PEWWYSNMSA-N
MW245.28 g/mol
LogP0.36
Rot. Bonds1

About 5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile

5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile (PubChem CID 67065424) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile
PubChem CID67065424
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(C2NCC3OC[C@H](O)CC32)c1
InChIInChI=1S/C13H15N3O2/c14-3-8-1-9(5-15-4-8)13-11-2-10(17)7-18-12(11)6-16-13/h1,4-5,10-13,16-17H,2,6-7H2/t10-,11?,12?,13?/m1/s1
InChIKeyOISIAMNBNNVMPK-PEWWYSNMSA-N
XLogP0.36
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile (CID 67065424) is 5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile is N#Cc1cncc(C2NCC3OC[C@H](O)CC32)c1.
What is the InChIKey of 5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile?
The InChIKey is OISIAMNBNNVMPK-PEWWYSNMSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-3-8-1-9(5-15-4-8)13-11-2-10(17)7-18-12(11)6-16-13/h1,4-5,10-13,16-17H,2,6-7H2/t10-,11?,12?,13?/m1/s1.
What are the key properties of 5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile?
5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile has a molecular weight of 245.28 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 67065424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).