2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide

C13H10N4O — CID 114015835

IUPAC2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cn1ccc2c(C#N)cccc21
InChIInChI=1S/C13H10N4O/c14-5-6-16-13(18)9-17-7-4-11-10(8-15)2-1-3-12(11)17/h1-4,7H,6,9H2,(H,16,18)
InChIKeyZHSQFUYZAVLALQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.15
Rot. Bonds3

About 2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide

2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide (PubChem CID 114015835) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
PubChem CID114015835
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide
SMILESN#CCNC(=O)Cn1ccc2c(C#N)cccc21
InChIInChI=1S/C13H10N4O/c14-5-6-16-13(18)9-17-7-4-11-10(8-15)2-1-3-12(11)17/h1-4,7H,6,9H2,(H,16,18)
InChIKeyZHSQFUYZAVLALQ-UHFFFAOYSA-N
XLogP1.15
TPSA81.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107919052
2-(4-cyanoindol-1-yl)-N-pentan-3-ylacetamide
CID 107919141
2-(4-cyanoindol-1-yl)acetic acid
CID 28947083
2-(4-cyanoindol-1-yl)-N-pentan-2-ylacetamide
CID 107919108
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
1-(3-methyl-2-oxopentyl)indole-4-carbonitrile
CID 107918780
1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]indole-4-carbonitrile
CID 107918805
3-(4-cyanoindol-1-yl)propanehydrazide
CID 107919610
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile
CID 107918801
N-benzyl-2-(3-cyanoindol-1-yl)acetamide
CID 668666
1-but-2-ynylindole-4-carbonitrile
CID 107919088

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide?
The IUPAC name of 2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide (CID 114015835) is 2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide is N#CCNC(=O)Cn1ccc2c(C#N)cccc21.
What is the InChIKey of 2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide?
The InChIKey is ZHSQFUYZAVLALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-5-6-16-13(18)9-17-7-4-11-10(8-15)2-1-3-12(11)17/h1-4,7H,6,9H2,(H,16,18).
What are the key properties of 2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide?
2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide has a molecular weight of 238.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoindol-1-yl)-N-(cyanomethyl)acetamide is sourced from PubChem (CID 114015835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).