6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide

C14H19BrN4O — CID 135324687

IUPAC6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
SMILESNCCC[C@H](N)CNC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H19BrN4O/c15-10-4-3-9-6-13(19-12(9)7-10)14(20)18-8-11(17)2-1-5-16/h3-4,6-7,11,19H,1-2,5,8,16-17H2,(H,18,20)/t11-/m0/s1
InChIKeyDGXTWYFKUBMAIH-NSHDSACASA-N
MW339.24 g/mol
LogP1.73
Rot. Bonds6

About 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide

6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide (PubChem CID 135324687) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
PubChem CID135324687
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
SMILESNCCC[C@H](N)CNC(=O)c1cc2ccc(Br)cc2[nH]1
InChIInChI=1S/C14H19BrN4O/c15-10-4-3-9-6-13(19-12(9)7-10)14(20)18-8-11(17)2-1-5-16/h3-4,6-7,11,19H,1-2,5,8,16-17H2,(H,18,20)/t11-/m0/s1
InChIKeyDGXTWYFKUBMAIH-NSHDSACASA-N
XLogP1.73
TPSA96.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide 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

6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide
CID 135324569
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 135324109
6-(3-chloro-4-fluorophenyl)-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide
CID 135324438
6-cyclopropyl-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride
CID 135324678
N-[(2S)-2,5-diaminopentyl]-6-(4-fluoro-3-methoxyphenyl)-1H-indole-2-carboxamide
CID 135324188
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-benzimidazole-2-carboxamide
CID 135324563
6-(2-cyclopropylethynyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide;hydrochloride
CID 135323889
6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide
CID 78854248
N-(2,5-diaminohexyl)-6-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 135324352
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
6-bromo-N-[(E)-pent-3-enyl]-1H-indole-2-carboxamide
CID 86953104
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide (CID 135324687) is 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide is NCCC[C@H](N)CNC(=O)c1cc2ccc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide?
The InChIKey is DGXTWYFKUBMAIH-NSHDSACASA-N. The full InChI is InChI=1S/C14H19BrN4O/c15-10-4-3-9-6-13(19-12(9)7-10)14(20)18-8-11(17)2-1-5-16/h3-4,6-7,11,19H,1-2,5,8,16-17H2,(H,18,20)/t11-/m0/s1.
What are the key properties of 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide?
6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide has a molecular weight of 339.24 g/mol, XLogP of 1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2S)-2,5-diaminopentyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 135324687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).