2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide

C14H16N4O — CID 102915421

IUPAC2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)Cn1ccc2cc(CN)ccc21
InChIInChI=1S/C14H16N4O/c15-5-1-6-17-14(19)10-18-7-4-12-8-11(9-16)2-3-13(12)18/h2-4,7-8H,1,6,9-10,16H2,(H,17,19)
InChIKeyKPPCUCANOSZZNM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.13
Rot. Bonds5

About 2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide

2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide (PubChem CID 102915421) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide
PubChem CID102915421
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)Cn1ccc2cc(CN)ccc21
InChIInChI=1S/C14H16N4O/c15-5-1-6-17-14(19)10-18-7-4-12-8-11(9-16)2-3-13(12)18/h2-4,7-8H,1,6,9-10,16H2,(H,17,19)
InChIKeyKPPCUCANOSZZNM-UHFFFAOYSA-N
XLogP1.13
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915820
2-[6-(aminomethyl)indol-1-yl]-N-(3-methylbutyl)acetamide
CID 102916443
N-butyl-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915746
N-butyl-2-[5-(hydroxymethyl)indol-1-yl]acetamide
CID 102912501
N-(3-methoxypropyl)-2-[5-(methylaminomethyl)indol-1-yl]acetamide
CID 102915716
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide
CID 63253370
N-ethyl-2-[5-(propylaminomethyl)indol-1-yl]acetamide
CID 102915996
2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 102916396
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107920232
2-(5-aminoindol-1-yl)-N-benzylacetamide
CID 43342948

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide (CID 102915421) is 2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide is N#CCCNC(=O)Cn1ccc2cc(CN)ccc21.
What is the InChIKey of 2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide?
The InChIKey is KPPCUCANOSZZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-5-1-6-17-14(19)10-18-7-4-12-8-11(9-16)2-3-13(12)18/h2-4,7-8H,1,6,9-10,16H2,(H,17,19).
What are the key properties of 2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide?
2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide has a molecular weight of 256.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)indol-1-yl]-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 102915421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).