6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile

C17H17N5 — CID 163351951

IUPAC6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CC3CN(c4ccccn4)CC3C2)nc1
InChIInChI=1S/C17H17N5/c18-7-13-4-5-17(20-8-13)22-11-14-9-21(10-15(14)12-22)16-3-1-2-6-19-16/h1-6,8,14-15H,9-12H2
InChIKeyLHKIWJIFIDSVNW-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.92
Rot. Bonds2

About 6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile

6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile (PubChem CID 163351951) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
PubChem CID163351951
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CC3CN(c4ccccn4)CC3C2)nc1
InChIInChI=1S/C17H17N5/c18-7-13-4-5-17(20-8-13)22-11-14-9-21(10-15(14)12-22)16-3-1-2-6-19-16/h1-6,8,14-15H,9-12H2
InChIKeyLHKIWJIFIDSVNW-UHFFFAOYSA-N
XLogP1.92
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile (CID 163351951) is 6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2CC3CN(c4ccccn4)CC3C2)nc1.
What is the InChIKey of 6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile?
The InChIKey is LHKIWJIFIDSVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c18-7-13-4-5-17(20-8-13)22-11-14-9-21(10-15(14)12-22)16-3-1-2-6-19-16/h1-6,8,14-15H,9-12H2.
What are the key properties of 6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile?
6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile has a molecular weight of 291.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 163351951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).