6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride

C19H25ClN4O — CID 135323889

IUPAC6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride
SMILESCl.NCCCC(N)CNC(=O)c1cc2ccc(C#CC3CC3)cc2[nH]1
InChIInChI=1S/C19H24N4O.ClH/c20-9-1-2-16(21)12-22-19(24)18-11-15-8-7-14(10-17(15)23-18)6-5-13-3-4-13;/h7-8,10-11,13,16,23H,1-4,9,12,20-21H2,(H,22,24);1H
InChIKeyKAEPZBGAKGPCGS-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.15
Rot. Bonds6

About 6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride

6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride (PubChem CID 135323889) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride
PubChem CID135323889
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride
SMILESCl.NCCCC(N)CNC(=O)c1cc2ccc(C#CC3CC3)cc2[nH]1
InChIInChI=1S/C19H24N4O.ClH/c20-9-1-2-16(21)12-22-19(24)18-11-15-8-7-14(10-17(15)23-18)6-5-13-3-4-13;/h7-8,10-11,13,16,23H,1-4,9,12,20-21H2,(H,22,24);1H
InChIKeyKAEPZBGAKGPCGS-UHFFFAOYSA-N
XLogP2.15
TPSA96.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride
CID 135324678
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
CID 135324687
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 135324109
6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide
CID 135324569
6-(3-chloro-4-fluorophenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
CID 135324438
N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methoxyphenyl)-1H-indole-2-carboxamide
CID 135324188
3-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 154944440
N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 135324352
2-N,5-N-bis[2-[2-[[(2S)-2,5-diaminopentanoyl]amino]ethylcarbamoyl]-1H-indol-6-yl]-1H-indole-2,5-dicarboxamide
CID 67550216
N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide
CID 157297296
6-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide
CID 56823834
N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride
CID 135324525

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of 6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride (CID 135323889) is 6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for 6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride is Cl.NCCCC(N)CNC(=O)c1cc2ccc(C#CC3CC3)cc2[nH]1.
What is the InChIKey of 6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is KAEPZBGAKGPCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c20-9-1-2-16(21)12-22-19(24)18-11-15-8-7-14(10-17(15)23-18)6-5-13-3-4-13;/h7-8,10-11,13,16,23H,1-4,9,12,20-21H2,(H,22,24);1H.
What are the key properties of 6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride?
6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 2.15, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 135323889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).