2-(5-cyanoindol-1-yl)-N-ethylpropanamide

C14H15N3O — CID 114015993

IUPAC2-(5-cyanoindol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1ccc2cc(C#N)ccc21
InChIInChI=1S/C14H15N3O/c1-3-16-14(18)10(2)17-7-6-12-8-11(9-15)4-5-13(12)17/h4-8,10H,3H2,1-2H3,(H,16,18)
InChIKeyIWIMOJZOWXUABD-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.21
Rot. Bonds3

About 2-(5-cyanoindol-1-yl)-N-ethylpropanamide

2-(5-cyanoindol-1-yl)-N-ethylpropanamide (PubChem CID 114015993) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(5-cyanoindol-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(5-cyanoindol-1-yl)-N-ethylpropanamide
PubChem CID114015993
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(5-cyanoindol-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1ccc2cc(C#N)ccc21
InChIInChI=1S/C14H15N3O/c1-3-16-14(18)10(2)17-7-6-12-8-11(9-15)4-5-13(12)17/h4-8,10H,3H2,1-2H3,(H,16,18)
InChIKeyIWIMOJZOWXUABD-UHFFFAOYSA-N
XLogP2.21
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-cyanoindol-1-yl)propanehydrazide
CID 107917648
2-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]-N-ethylpropanamide
CID 104715559
methyl 5-cyanoindole-1-carboxylate
CID 15422551
3-(5-cyanoindol-1-yl)-2-methylpropanamide
CID 107920443
1-[1-[2-hydroxy-3-(methylamino)phenyl]propyl]indole-5-carbonitrile
CID 174514764
1-(3-oxobutyl)indole-5-carbonitrile
CID 107919976
2-[(5-cyano-2-fluorophenyl)methylamino]-N-ethylpropanamide
CID 54953624
1-(4-oxopentyl)indole-5-carbonitrile
CID 107919956
(Z)-4-(5-cyanoindol-1-yl)-2-methylbut-2-enoic acid
CID 107919718
N-butan-2-yl-2-indol-1-ylpropanamide
CID 113233604
2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107920232
(4-cyanophenyl)methyl 2-[[2-(5-cyanoindol-1-yl)acetyl]amino]propanoate
CID 54128846

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyanoindol-1-yl)-N-ethylpropanamide?
The IUPAC name of 2-(5-cyanoindol-1-yl)-N-ethylpropanamide (CID 114015993) is 2-(5-cyanoindol-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(5-cyanoindol-1-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(5-cyanoindol-1-yl)-N-ethylpropanamide is CCNC(=O)C(C)n1ccc2cc(C#N)ccc21.
What is the InChIKey of 2-(5-cyanoindol-1-yl)-N-ethylpropanamide?
The InChIKey is IWIMOJZOWXUABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-16-14(18)10(2)17-7-6-12-8-11(9-15)4-5-13(12)17/h4-8,10H,3H2,1-2H3,(H,16,18).
What are the key properties of 2-(5-cyanoindol-1-yl)-N-ethylpropanamide?
2-(5-cyanoindol-1-yl)-N-ethylpropanamide has a molecular weight of 241.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyanoindol-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 114015993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).