6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide

C20H23ClN4O — CID 135324569

IUPAC6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide
SMILESNCCCC(N)CNC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2[nH]1
InChIInChI=1S/C20H23ClN4O/c21-16-7-5-13(6-8-16)14-3-4-15-11-19(25-18(15)10-14)20(26)24-12-17(23)2-1-9-22/h3-8,10-11,17,25H,1-2,9,12,22-23H2,(H,24,26)
InChIKeyLNKKNYKXUBPMNF-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.28
Rot. Bonds7

About 6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide

6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide (PubChem CID 135324569) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide
PubChem CID135324569
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide
SMILESNCCCC(N)CNC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2[nH]1
InChIInChI=1S/C20H23ClN4O/c21-16-7-5-13(6-8-16)14-3-4-15-11-19(25-18(15)10-14)20(26)24-12-17(23)2-1-9-22/h3-8,10-11,17,25H,1-2,9,12,22-23H2,(H,24,26)
InChIKeyLNKKNYKXUBPMNF-UHFFFAOYSA-N
XLogP3.28
TPSA96.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide (CID 135324569) is 6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide is NCCCC(N)CNC(=O)c1cc2ccc(-c3ccc(Cl)cc3)cc2[nH]1.
What is the InChIKey of 6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide?
The InChIKey is LNKKNYKXUBPMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c21-16-7-5-13(6-8-16)14-3-4-15-11-19(25-18(15)10-14)20(26)24-12-17(23)2-1-9-22/h3-8,10-11,17,25H,1-2,9,12,22-23H2,(H,24,26).
What are the key properties of 6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide?
6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.28, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(2,5-diaminopentyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 135324569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).