N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide

C25H26N8O2 — CID 67551609

IUPACN-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide
SMILESCCCCCCCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nn[nH]n3)[nH]c12
InChIInChI=1S/C25H26N8O2/c1-2-3-4-5-6-10-22(34)27-20-9-7-8-17-14-21(28-23(17)20)25(35)29-19-12-11-16(15-26)13-18(19)24-30-32-33-31-24/h7-9,11-14,28H,2-6,10H2,1H3,(H,27,34)(H,29,35)(H,30,31,32,33)
InChIKeyFAHFGXCQDFRCGT-UHFFFAOYSA-N
MW470.54 g/mol
LogP4.77
Rot. Bonds10

About N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide

N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide (PubChem CID 67551609) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide
PubChem CID67551609
Molecular FormulaC25H26N8O2
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC NameN-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide
SMILESCCCCCCCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nn[nH]n3)[nH]c12
InChIInChI=1S/C25H26N8O2/c1-2-3-4-5-6-10-22(34)27-20-9-7-8-17-14-21(28-23(17)20)25(35)29-19-12-11-16(15-26)13-18(19)24-30-32-33-31-24/h7-9,11-14,28H,2-6,10H2,1H3,(H,27,34)(H,29,35)(H,30,31,32,33)
InChIKeyFAHFGXCQDFRCGT-UHFFFAOYSA-N
XLogP4.77
TPSA152.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide?
The IUPAC name of N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide (CID 67551609) is N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide is CCCCCCCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nn[nH]n3)[nH]c12.
What is the InChIKey of N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide?
The InChIKey is FAHFGXCQDFRCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-2-3-4-5-6-10-22(34)27-20-9-7-8-17-14-21(28-23(17)20)25(35)29-19-12-11-16(15-26)13-18(19)24-30-32-33-31-24/h7-9,11-14,28H,2-6,10H2,1H3,(H,27,34)(H,29,35)(H,30,31,32,33).
What are the key properties of N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide?
N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide has a molecular weight of 470.54 g/mol, XLogP of 4.77, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(2H-tetrazol-5-yl)phenyl]-7-(octanoylamino)-1H-indole-2-carboxamide is sourced from PubChem (CID 67551609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).