5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide

C25H25N5O3 — CID 69143814

IUPAC5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc2[nH]cc(CCCCCNCC(=O)Nc3ccc4oc(C(N)=O)cc4c3)c2c1
InChIInChI=1S/C25H25N5O3/c26-13-16-5-7-21-20(10-16)17(14-29-21)4-2-1-3-9-28-15-24(31)30-19-6-8-22-18(11-19)12-23(33-22)25(27)32/h5-8,10-12,14,28-29H,1-4,9,15H2,(H2,27,32)(H,30,31)
InChIKeyNXKXBEQDMLLDAV-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.83
Rot. Bonds10

About 5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide

5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 69143814) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID69143814
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc2[nH]cc(CCCCCNCC(=O)Nc3ccc4oc(C(N)=O)cc4c3)c2c1
InChIInChI=1S/C25H25N5O3/c26-13-16-5-7-21-20(10-16)17(14-29-21)4-2-1-3-9-28-15-24(31)30-19-6-8-22-18(11-19)12-23(33-22)25(27)32/h5-8,10-12,14,28-29H,1-4,9,15H2,(H2,27,32)(H,30,31)
InChIKeyNXKXBEQDMLLDAV-UHFFFAOYSA-N
XLogP3.83
TPSA136.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-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

5-[3-[4-(5-cyano-1H-indol-3-yl)butylamino]propanoylamino]-1-benzofuran-2-carboxylic acid
CID 69144819
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;sulfuric acid
CID 73389306
5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 58656079
ethyl 5-[[2-[4-(5-cyano-1H-indol-3-yl)butyl-methylamino]acetyl]amino]-1-benzofuran-2-carboxylate;ethyl 5-[[(2S)-2-[3-(5-cyano-1H-indol-3-yl)propylamino]propanoyl]amino]-1-benzofuran-2-carboxylate
CID 159539072
5-[1-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-2-yl]-1-benzofuran-2-carboxamide;hydrochloride
CID 67301217
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-[2-(methylamino)ethyl]-1-benzofuran-2-carboxamide
CID 10163876
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 69419961
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-[2-(dimethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 69419133
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 69419842
N-carbamoyl-5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-propyl-1-benzofuran-2-carboxamide
CID 141411660
N-(2-amino-3-methylbutanoyl)-5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 71092304
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 69419179

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide (CID 69143814) is 5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide is N#Cc1ccc2[nH]cc(CCCCCNCC(=O)Nc3ccc4oc(C(N)=O)cc4c3)c2c1.
What is the InChIKey of 5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is NXKXBEQDMLLDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c26-13-16-5-7-21-20(10-16)17(14-29-21)4-2-1-3-9-28-15-24(31)30-19-6-8-22-18(11-19)12-23(33-22)25(27)32/h5-8,10-12,14,28-29H,1-4,9,15H2,(H2,27,32)(H,30,31).
What are the key properties of 5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide?
5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.83, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[5-(5-cyano-1H-indol-3-yl)pentylamino]acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 69143814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).