2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile

C17H16N4 — CID 123327629

IUPAC2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
SMILESCCc1cnc2[nH]ccc2c1-c1ccc(CN)c(C#N)c1
InChIInChI=1S/C17H16N4/c1-2-11-10-21-17-15(5-6-20-17)16(11)12-3-4-13(8-18)14(7-12)9-19/h3-7,10H,2,8,18H2,1H3,(H,20,21)
InChIKeyVAOPXCFLPPFREU-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.12
Rot. Bonds3

About 2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile

2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile (PubChem CID 123327629) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
PubChem CID123327629
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
SMILESCCc1cnc2[nH]ccc2c1-c1ccc(CN)c(C#N)c1
InChIInChI=1S/C17H16N4/c1-2-11-10-21-17-15(5-6-20-17)16(11)12-3-4-13(8-18)14(7-12)9-19/h3-7,10H,2,8,18H2,1H3,(H,20,21)
InChIKeyVAOPXCFLPPFREU-UHFFFAOYSA-N
XLogP3.12
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile?
The IUPAC name of 2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile (CID 123327629) is 2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile.
What is the SMILES notation for 2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile?
The canonical SMILES for 2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile is CCc1cnc2[nH]ccc2c1-c1ccc(CN)c(C#N)c1.
What is the InChIKey of 2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile?
The InChIKey is VAOPXCFLPPFREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-11-10-21-17-15(5-6-20-17)16(11)12-3-4-13(8-18)14(7-12)9-19/h3-7,10H,2,8,18H2,1H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile?
2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile is sourced from PubChem (CID 123327629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).