6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride

C20H29ClN4O2 — CID 119333739

IUPAC6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCc2ccc(NC(=O)C3CC4CCCCC4N3)cc21.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-2-21-20(26)24-10-9-13-7-8-15(12-18(13)24)22-19(25)17-11-14-5-3-4-6-16(14)23-17;/h7-8,12,14,16-17,23H,2-6,9-11H2,1H3,(H,21,26)(H,22,25);1H
InChIKeyZKVAYIMYZASMJE-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.06
Rot. Bonds3

About 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride

6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride (PubChem CID 119333739) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride
PubChem CID119333739
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCc2ccc(NC(=O)C3CC4CCCCC4N3)cc21.Cl
InChIInChI=1S/C20H28N4O2.ClH/c1-2-21-20(26)24-10-9-13-7-8-15(12-18(13)24)22-19(25)17-11-14-5-3-4-6-16(14)23-17;/h7-8,12,14,16-17,23H,2-6,9-11H2,1H3,(H,21,26)(H,22,25);1H
InChIKeyZKVAYIMYZASMJE-UHFFFAOYSA-N
XLogP3.06
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119271734
N-ethyl-6-[(2-pyrrolidin-2-ylacetyl)amino]-2,3-dihydroindole-1-carboxamide;hydrochloride
CID 119801398
N-[4-(azepane-1-carbonylamino)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119310674
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(6-fluoro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119310101
(7R)-N-[1-(ethylcarbamoyl)-2,3-dihydroindol-6-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 97028925
N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119326437
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119862123
N-(4-bromo-3-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290156
N-(3,4-dichlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43103078
N-(3,5-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119263211
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119885308
N-ethyl-6-[[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carbonyl]amino]-2,3-dihydroindole-1-carboxamide;hydrochloride
CID 120934757

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride?
The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride (CID 119333739) is 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride.
What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride?
The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride is CCNC(=O)N1CCc2ccc(NC(=O)C3CC4CCCCC4N3)cc21.Cl.
What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride?
The InChIKey is ZKVAYIMYZASMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2.ClH/c1-2-21-20(26)24-10-9-13-7-8-15(12-18(13)24)22-19(25)17-11-14-5-3-4-6-16(14)23-17;/h7-8,12,14,16-17,23H,2-6,9-11H2,1H3,(H,21,26)(H,22,25);1H.
What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride?
6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-N-ethyl-2,3-dihydroindole-1-carboxamide;hydrochloride is sourced from PubChem (CID 119333739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).