4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide

C21H22N4O — CID 92761200

IUPAC4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide
SMILESCCN(C)CCc1c[nH]c2ccc(NC(=O)c3ccc(C#N)cc3)cc12
InChIInChI=1S/C21H22N4O/c1-3-25(2)11-10-17-14-23-20-9-8-18(12-19(17)20)24-21(26)16-6-4-15(13-22)5-7-16/h4-9,12,14,23H,3,10-11H2,1-2H3,(H,24,26)
InChIKeyZCSVSNPSBYGSTB-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.79
Rot. Bonds6

About 4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide

4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide (PubChem CID 92761200) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide
PubChem CID92761200
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide
SMILESCCN(C)CCc1c[nH]c2ccc(NC(=O)c3ccc(C#N)cc3)cc12
InChIInChI=1S/C21H22N4O/c1-3-25(2)11-10-17-14-23-20-9-8-18(12-19(17)20)24-21(26)16-6-4-15(13-22)5-7-16/h4-9,12,14,23H,3,10-11H2,1-2H3,(H,24,26)
InChIKeyZCSVSNPSBYGSTB-UHFFFAOYSA-N
XLogP3.79
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-[(4-bromothiophen-2-yl)methyl-methylamino]ethyl]-1H-indol-5-yl]-4-fluorobenzamide
CID 23290508
3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile
CID 156836179
butanedioic acid;bis(3-[2-(dimethylamino)ethyl]-N-(4-pyridin-4-ylphenyl)-1H-indole-5-carboxamide)
CID 44523496
3-[3-(cyanomethyl)-1H-indol-5-yl]-1,1-dimethylurea
CID 70396619
N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 46081785
N-[3-(cyanomethyl)-1H-indol-5-yl]acetamide
CID 12803112
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]thiourea
CID 19040763
methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate
CID 35372978
N-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine
CID 162773393
N-ethyl-N-methyl-2-(5-methylsulfonyl-1H-indol-3-yl)ethanamine;molecular hydrogen
CID 177026314
N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152503
N-[2-[5-(carbamoylamino)-1H-indol-3-yl]ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 14391162

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide?
The IUPAC name of 4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide (CID 92761200) is 4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide?
The canonical SMILES for 4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide is CCN(C)CCc1c[nH]c2ccc(NC(=O)c3ccc(C#N)cc3)cc12.
What is the InChIKey of 4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide?
The InChIKey is ZCSVSNPSBYGSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-25(2)11-10-17-14-23-20-9-8-18(12-19(17)20)24-21(26)16-6-4-15(13-22)5-7-16/h4-9,12,14,23H,3,10-11H2,1-2H3,(H,24,26).
What are the key properties of 4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide?
4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-[2-[ethyl(methyl)amino]ethyl]-1H-indol-5-yl]benzamide is sourced from PubChem (CID 92761200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).