3-(5-cyanoindol-1-yl)-2-methylpropanamide

C13H13N3O — CID 107920443

IUPAC3-(5-cyanoindol-1-yl)-2-methylpropanamide
SMILESCC(Cn1ccc2cc(C#N)ccc21)C(N)=O
InChIInChI=1S/C13H13N3O/c1-9(13(15)17)8-16-5-4-11-6-10(7-14)2-3-12(11)16/h2-6,9H,8H2,1H3,(H2,15,17)
InChIKeyNHLXOJSLWNMJJB-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.63
Rot. Bonds3

About 3-(5-cyanoindol-1-yl)-2-methylpropanamide

3-(5-cyanoindol-1-yl)-2-methylpropanamide (PubChem CID 107920443) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(5-cyanoindol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(5-cyanoindol-1-yl)-2-methylpropanamide
PubChem CID107920443
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3-(5-cyanoindol-1-yl)-2-methylpropanamide
SMILESCC(Cn1ccc2cc(C#N)ccc21)C(N)=O
InChIInChI=1S/C13H13N3O/c1-9(13(15)17)8-16-5-4-11-6-10(7-14)2-3-12(11)16/h2-6,9H,8H2,1H3,(H2,15,17)
InChIKeyNHLXOJSLWNMJJB-UHFFFAOYSA-N
XLogP1.63
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloroindol-1-yl)-2-methylpropanamide
CID 116623102
3-(5-fluoroindol-1-yl)-2-methylpropanamide
CID 63850136
3-indol-1-yl-2-methylpropanamide
CID 63811423
1-(3-oxobutyl)indole-5-carbonitrile
CID 107919976
1-(4-oxopentyl)indole-5-carbonitrile
CID 107919956
(Z)-4-(5-cyanoindol-1-yl)-2-methylbut-2-enoic acid
CID 107919718
1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile
CID 114268853
(4-cyanophenyl)methyl 2-[[2-(5-cyanoindol-1-yl)acetyl]amino]propanoate
CID 54128846
1-(3-hydroxy-3-methylbutyl)indole-5-carbonitrile
CID 114015947
1-(2-methylsulfonylethyl)indole-5-carbonitrile
CID 114015955
1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile
CID 107920442
(4-cyanophenyl)methyl 2-[3-(5-cyanoindol-1-yl)propanoylamino]propanoate
CID 70078914

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyanoindol-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(5-cyanoindol-1-yl)-2-methylpropanamide (CID 107920443) is 3-(5-cyanoindol-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(5-cyanoindol-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(5-cyanoindol-1-yl)-2-methylpropanamide is CC(Cn1ccc2cc(C#N)ccc21)C(N)=O.
What is the InChIKey of 3-(5-cyanoindol-1-yl)-2-methylpropanamide?
The InChIKey is NHLXOJSLWNMJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9(13(15)17)8-16-5-4-11-6-10(7-14)2-3-12(11)16/h2-6,9H,8H2,1H3,(H2,15,17).
What are the key properties of 3-(5-cyanoindol-1-yl)-2-methylpropanamide?
3-(5-cyanoindol-1-yl)-2-methylpropanamide has a molecular weight of 227.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyanoindol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 107920443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).