2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide

C16H19N3O — CID 107919108

IUPAC2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc2c(C#N)cccc21
InChIInChI=1S/C16H19N3O/c1-3-5-12(2)18-16(20)11-19-9-8-14-13(10-17)6-4-7-15(14)19/h4,6-9,12H,3,5,11H2,1-2H3,(H,18,20)
InChIKeyWDAAEPANGVDNRH-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.82
Rot. Bonds5

About 2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide

2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide (PubChem CID 107919108) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide
PubChem CID107919108
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1ccc2c(C#N)cccc21
InChIInChI=1S/C16H19N3O/c1-3-5-12(2)18-16(20)11-19-9-8-14-13(10-17)6-4-7-15(14)19/h4,6-9,12H,3,5,11H2,1-2H3,(H,18,20)
InChIKeyWDAAEPANGVDNRH-UHFFFAOYSA-N
XLogP2.82
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanoindol-1-yl)-N-pentan-3-ylacetamide
CID 107919141
2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
CID 114015835
2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide
CID 83174347
1-(3-methyl-2-oxopentyl)indole-4-carbonitrile
CID 107918780
2-(4-cyanoindol-1-yl)acetic acid
CID 28947083
1-(3-hydroxybutyl)indole-4-carbonitrile
CID 107918979
2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107919052
1-(2-methylbutyl)indole-4-carbonitrile
CID 107919093
1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]indole-4-carbonitrile
CID 107918805
3-(4-cyanoindol-1-yl)propanehydrazide
CID 107919610
2-(5-methylindol-1-yl)-N-pentan-2-ylacetamide
CID 116622911
1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile
CID 107918801

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide (CID 107919108) is 2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1ccc2c(C#N)cccc21.
What is the InChIKey of 2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide?
The InChIKey is WDAAEPANGVDNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-5-12(2)18-16(20)11-19-9-8-14-13(10-17)6-4-7-15(14)19/h4,6-9,12H,3,5,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide?
2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide has a molecular weight of 269.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide is sourced from PubChem (CID 107919108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).