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

C17H24N4 — CID 66412632

IUPAC5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(N)Cc1cn(CCCC(C)(C)C#N)c2ncccc12
InChIInChI=1S/C17H24N4/c1-13(19)10-14-11-21(9-5-7-17(2,3)12-18)16-15(14)6-4-8-20-16/h4,6,8,11,13H,5,7,9-10,19H2,1-3H3
InChIKeyLVCJFPDQWUPMMD-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.26
Rot. Bonds6

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

5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile (PubChem CID 66412632) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
PubChem CID66412632
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
SMILESCC(N)Cc1cn(CCCC(C)(C)C#N)c2ncccc12
InChIInChI=1S/C17H24N4/c1-13(19)10-14-11-21(9-5-7-17(2,3)12-18)16-15(14)6-4-8-20-16/h4,6,8,11,13H,5,7,9-10,19H2,1-3H3
InChIKeyLVCJFPDQWUPMMD-UHFFFAOYSA-N
XLogP3.26
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile (CID 66412632) is 5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile is CC(N)Cc1cn(CCCC(C)(C)C#N)c2ncccc12.
What is the InChIKey of 5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile?
The InChIKey is LVCJFPDQWUPMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13(19)10-14-11-21(9-5-7-17(2,3)12-18)16-15(14)6-4-8-20-16/h4,6,8,11,13H,5,7,9-10,19H2,1-3H3.
What are the key properties of 5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile?
5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile has a molecular weight of 284.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 66412632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).