3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile

C21H22N4 — CID 175233892

IUPAC3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile
SMILES[H]/N=C(/CC(C)c1c[nH]c2ccc(C#N)cc12)CC(N)c1ccccc1
InChIInChI=1S/C21H22N4/c1-14(9-17(23)11-20(24)16-5-3-2-4-6-16)19-13-25-21-8-7-15(12-22)10-18(19)21/h2-8,10,13-14,20,23,25H,9,11,24H2,1H3/b23-17-
InChIKeyGOYUHXRGLVFMTE-QJOMJCCJSA-N
MW330.44 g/mol
LogP4.64
Rot. Bonds6

About 3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile

3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile (PubChem CID 175233892) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile
PubChem CID175233892
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile
SMILES[H]/N=C(/CC(C)c1c[nH]c2ccc(C#N)cc12)CC(N)c1ccccc1
InChIInChI=1S/C21H22N4/c1-14(9-17(23)11-20(24)16-5-3-2-4-6-16)19-13-25-21-8-7-15(12-22)10-18(19)21/h2-8,10,13-14,20,23,25H,9,11,24H2,1H3/b23-17-
InChIKeyGOYUHXRGLVFMTE-QJOMJCCJSA-N
XLogP4.64
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile 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

3-[6-(3-fluoroanilino)-4-iminohexan-2-yl]-1H-indole-5-carbonitrile
CID 174419018
3-(1-phenylprop-2-enyl)-1H-indole-5-carbonitrile
CID 102393521
3-(5-cyano-1H-indol-3-yl)-2,3-dihydroxypropanoic acid
CID 170825364
5-(5-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)-3-iminohexanamide
CID 174402507
4-(5-fluoro-1H-indol-3-yl)-2-iminopentanoic acid
CID 175239287
3-[(1R)-1-aminoethyl]-1H-indole-6-carbonitrile
CID 107917700
3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
CID 23928157
(5-cyano-1H-indol-3-yl) 3-methylbutanoate
CID 174468857
[2-[(5-cyano-1H-indol-3-yl)-(1-methylindol-3-yl)methyl]phenyl] sulfamate
CID 172726165
3-(1,5-diphenylpent-1-en-4-yn-3-yl)-1H-indole-5-carbonitrile
CID 134830615
3-[(1-benzhydrylazetidin-3-yl)methyl]-1H-indole-5-carbonitrile
CID 69204264
3-(4-methylphenyl)sulfanyl-1H-indole-5-carbonitrile
CID 132941166

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile (CID 175233892) is 3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile is [H]/N=C(/CC(C)c1c[nH]c2ccc(C#N)cc12)CC(N)c1ccccc1.
What is the InChIKey of 3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile?
The InChIKey is GOYUHXRGLVFMTE-QJOMJCCJSA-N. The full InChI is InChI=1S/C21H22N4/c1-14(9-17(23)11-20(24)16-5-3-2-4-6-16)19-13-25-21-8-7-15(12-22)10-18(19)21/h2-8,10,13-14,20,23,25H,9,11,24H2,1H3/b23-17-.
What are the key properties of 3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile?
3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile has a molecular weight of 330.44 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-4-imino-6-phenylhexan-2-yl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 175233892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).