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

C14H18N4 — CID 57401602

IUPAC6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CC3CN(C)CC3C2)n1
InChIInChI=1S/C14H18N4/c1-10-3-4-11(5-15)14(16-10)18-8-12-6-17(2)7-13(12)9-18/h3-4,12-13H,6-9H2,1-2H3
InChIKeyCHIPXHGRWDCHHS-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.26
Rot. Bonds1

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

6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile (PubChem CID 57401602) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile
PubChem CID57401602
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CC3CN(C)CC3C2)n1
InChIInChI=1S/C14H18N4/c1-10-3-4-11(5-15)14(16-10)18-8-12-6-17(2)7-13(12)9-18/h3-4,12-13H,6-9H2,1-2H3
InChIKeyCHIPXHGRWDCHHS-UHFFFAOYSA-N
XLogP1.26
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile (CID 57401602) is 6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CC3CN(C)CC3C2)n1.
What is the InChIKey of 6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile?
The InChIKey is CHIPXHGRWDCHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-3-4-11(5-15)14(16-10)18-8-12-6-17(2)7-13(12)9-18/h3-4,12-13H,6-9H2,1-2H3.
What are the key properties of 6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile?
6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 57401602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).