3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C17H14N4O — CID 90870876

IUPAC3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCCc1cc2cc(NC(=O)c3cccc(C#N)c3)cnc2[nH]1
InChIInChI=1S/C17H14N4O/c1-2-14-7-13-8-15(10-19-16(13)20-14)21-17(22)12-5-3-4-11(6-12)9-18/h3-8,10H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyZAWTXGRRKCEFKW-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.25
Rot. Bonds3

About 3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 90870876) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID90870876
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCCc1cc2cc(NC(=O)c3cccc(C#N)c3)cnc2[nH]1
InChIInChI=1S/C17H14N4O/c1-2-14-7-13-8-15(10-19-16(13)20-14)21-17(22)12-5-3-4-11(6-12)9-18/h3-8,10H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyZAWTXGRRKCEFKW-UHFFFAOYSA-N
XLogP3.25
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 90870876) is 3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is CCc1cc2cc(NC(=O)c3cccc(C#N)c3)cnc2[nH]1.
What is the InChIKey of 3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is ZAWTXGRRKCEFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-14-7-13-8-15(10-19-16(13)20-14)21-17(22)12-5-3-4-11(6-12)9-18/h3-8,10H,2H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 290.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 90870876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).