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

C17H25ClN4O — CID 135324678

IUPAC6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride
SMILESCl.NCCCC(N)CNC(=O)c1cc2ccc(C3CC3)cc2[nH]1
InChIInChI=1S/C17H24N4O.ClH/c18-7-1-2-14(19)10-20-17(22)16-9-13-6-5-12(11-3-4-11)8-15(13)21-16;/h5-6,8-9,11,14,21H,1-4,7,10,18-19H2,(H,20,22);1H
InChIKeyQZUBLHLHXVOPDA-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.26
Rot. Bonds7

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

6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride (PubChem CID 135324678) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride
PubChem CID135324678
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride
SMILESCl.NCCCC(N)CNC(=O)c1cc2ccc(C3CC3)cc2[nH]1
InChIInChI=1S/C17H24N4O.ClH/c18-7-1-2-14(19)10-20-17(22)16-9-13-6-5-12(11-3-4-11)8-15(13)21-16;/h5-6,8-9,11,14,21H,1-4,7,10,18-19H2,(H,20,22);1H
InChIKeyQZUBLHLHXVOPDA-UHFFFAOYSA-N
XLogP2.26
TPSA96.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride
CID 135323889
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
6-cyclopropyl-1H-indole-2-carboxylic acid
CID 79983056
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
6-(oxan-4-yl)-1H-indole-2-carboxylic acid
CID 176653624
N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride
CID 135324525
(4Z)-N-(2,5-diaminopentyl)-4-[2-(4-fluorocyclohexa-1,3-dien-1-yl)prop-2-enylidene]-5-methylidene-1H-pyrrole-2-carboxamide
CID 142426035

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of 6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride (CID 135324678) is 6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for 6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride is Cl.NCCCC(N)CNC(=O)c1cc2ccc(C3CC3)cc2[nH]1.
What is the InChIKey of 6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is QZUBLHLHXVOPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c18-7-1-2-14(19)10-20-17(22)16-9-13-6-5-12(11-3-4-11)8-15(13)21-16;/h5-6,8-9,11,14,21H,1-4,7,10,18-19H2,(H,20,22);1H.
What are the key properties of 6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride?
6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 2.26, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 135324678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).