3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide

C20H15N3O — CID 68945617

IUPAC3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide
SMILESN#Cc1ccccc1C#CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H15N3O/c21-13-16-6-2-1-5-15(16)9-10-20(24)22-12-11-17-14-23-19-8-4-3-7-18(17)19/h1-8,14,23H,11-12H2,(H,22,24)
InChIKeyCWDYPIUWKFUVAX-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.75
Rot. Bonds3

About 3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide

3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide (PubChem CID 68945617) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide.

Molecular Properties

Compound Name3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide
PubChem CID68945617
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide
SMILESN#Cc1ccccc1C#CC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H15N3O/c21-13-16-6-2-1-5-15(16)9-10-20(24)22-12-11-17-14-23-19-8-4-3-7-18(17)19/h1-8,14,23H,11-12H2,(H,22,24)
InChIKeyCWDYPIUWKFUVAX-UHFFFAOYSA-N
XLogP2.75
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-phenylprop-2-ynamide
CID 134217339
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-(2-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 110864691
6-(2-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159767
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 82179549
(2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27645064
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide?
The IUPAC name of 3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide (CID 68945617) is 3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide.
What is the SMILES notation for 3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide?
The canonical SMILES for 3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide is N#Cc1ccccc1C#CC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide?
The InChIKey is CWDYPIUWKFUVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c21-13-16-6-2-1-5-15(16)9-10-20(24)22-12-11-17-14-23-19-8-4-3-7-18(17)19/h1-8,14,23H,11-12H2,(H,22,24).
What are the key properties of 3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide?
3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide has a molecular weight of 313.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanophenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-ynamide is sourced from PubChem (CID 68945617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).