5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile

C16H22N4 — CID 66412628

IUPAC5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1cc(CCN)c2cccnc21
InChIInChI=1S/C16H22N4/c1-16(2,12-18)7-4-10-20-11-13(6-8-17)14-5-3-9-19-15(14)20/h3,5,9,11H,4,6-8,10,17H2,1-2H3
InChIKeyVOZLKHKKFDNHHN-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.87
Rot. Bonds6

About 5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile

5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile (PubChem CID 66412628) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
PubChem CID66412628
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1cc(CCN)c2cccnc21
InChIInChI=1S/C16H22N4/c1-16(2,12-18)7-4-10-20-11-13(6-8-17)14-5-3-9-19-15(14)20/h3,5,9,11H,4,6-8,10,17H2,1-2H3
InChIKeyVOZLKHKKFDNHHN-UHFFFAOYSA-N
XLogP2.87
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile (CID 66412628) is 5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCn1cc(CCN)c2cccnc21.
What is the InChIKey of 5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile?
The InChIKey is VOZLKHKKFDNHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-16(2,12-18)7-4-10-20-11-13(6-8-17)14-5-3-9-19-15(14)20/h3,5,9,11H,4,6-8,10,17H2,1-2H3.
What are the key properties of 5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile?
5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile has a molecular weight of 270.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 66412628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).