2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C17H14N4O — CID 894234

IUPAC2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESN#Cc1cn(CC(=O)NCc2cccnc2)c2ccccc12
InChIInChI=1S/C17H14N4O/c18-8-14-11-21(16-6-2-1-5-15(14)16)12-17(22)20-10-13-4-3-7-19-9-13/h1-7,9,11H,10,12H2,(H,20,22)
InChIKeyAPHXQHBAGYZXGT-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.22
Rot. Bonds4

About 2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 894234) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID894234
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESN#Cc1cn(CC(=O)NCc2cccnc2)c2ccccc12
InChIInChI=1S/C17H14N4O/c18-8-14-11-21(16-6-2-1-5-15(14)16)12-17(22)20-10-13-4-3-7-19-9-13/h1-7,9,11H,10,12H2,(H,20,22)
InChIKeyAPHXQHBAGYZXGT-UHFFFAOYSA-N
XLogP2.22
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 894234) is 2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is N#Cc1cn(CC(=O)NCc2cccnc2)c2ccccc12.
What is the InChIKey of 2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is APHXQHBAGYZXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c18-8-14-11-21(16-6-2-1-5-15(14)16)12-17(22)20-10-13-4-3-7-19-9-13/h1-7,9,11H,10,12H2,(H,20,22).
What are the key properties of 2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 290.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 894234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).