2-(3-cyanoindol-1-yl)-N-propylacetamide

C14H15N3O — CID 46858778

IUPAC2-(3-cyanoindol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C14H15N3O/c1-2-7-16-14(18)10-17-9-11(8-15)12-5-3-4-6-13(12)17/h3-6,9H,2,7,10H2,1H3,(H,16,18)
InChIKeyBYQNMJDRYOTFHV-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.04
Rot. Bonds4

About 2-(3-cyanoindol-1-yl)-N-propylacetamide

2-(3-cyanoindol-1-yl)-N-propylacetamide (PubChem CID 46858778) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3-cyanoindol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-cyanoindol-1-yl)-N-propylacetamide
PubChem CID46858778
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(3-cyanoindol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C14H15N3O/c1-2-7-16-14(18)10-17-9-11(8-15)12-5-3-4-6-13(12)17/h3-6,9H,2,7,10H2,1H3,(H,16,18)
InChIKeyBYQNMJDRYOTFHV-UHFFFAOYSA-N
XLogP2.04
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyanoindol-1-yl)-N-(3-methylbutyl)acetamide
CID 46858714
2-(3-cyanoindol-1-yl)-N-(2-phenylethyl)acetamide
CID 46858702
N-benzyl-2-(3-cyanoindol-1-yl)acetamide
CID 668666
2-(3-acetylindol-1-yl)-N-propylacetamide
CID 117098452
2-(3-cyanoindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 951761
2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 46858731
2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2912319
methyl 2-[[2-(3-cyanoindol-1-yl)acetyl]amino]benzoate
CID 46858720
N-butyl-2-(3-cyanoindol-1-yl)-N-ethylacetamide
CID 46858716
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
CID 30558630
2-[3-(1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propylacetamide
CID 53071580
2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114015835

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoindol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(3-cyanoindol-1-yl)-N-propylacetamide (CID 46858778) is 2-(3-cyanoindol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-cyanoindol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-cyanoindol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1cc(C#N)c2ccccc21.
What is the InChIKey of 2-(3-cyanoindol-1-yl)-N-propylacetamide?
The InChIKey is BYQNMJDRYOTFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-7-16-14(18)10-17-9-11(8-15)12-5-3-4-6-13(12)17/h3-6,9H,2,7,10H2,1H3,(H,16,18).
What are the key properties of 2-(3-cyanoindol-1-yl)-N-propylacetamide?
2-(3-cyanoindol-1-yl)-N-propylacetamide has a molecular weight of 241.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoindol-1-yl)-N-propylacetamide is sourced from PubChem (CID 46858778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).