N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide

C25H20N8O4 — CID 3429454

IUPACN-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide
SMILESNC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)n2c(-c3ccccn3)nc3ccccc32)c2ccccc21
InChIInChI=1S/C25H20N8O4/c26-20(34)14-32-18-10-3-1-7-15(18)22(24(32)36)31-30-21(35)13-28-25(37)33-19-11-4-2-8-16(19)29-23(33)17-9-5-6-12-27-17/h1-12,36H,13-14H2,(H2,26,34)(H,28,37)/b31-30+
InChIKeyYKHYOEYIMMSLSI-NVQSTNCTSA-N
MW496.49 g/mol
LogP3.11
Rot. Bonds6

About N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide

N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide (PubChem CID 3429454) has the molecular formula C25H20N8O4 and a molecular weight of 496.49 g/mol. Its IUPAC name is N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide
PubChem CID3429454
Molecular FormulaC25H20N8O4
Molecular Weight496.49 g/mol
Exact Mass496.16
IUPAC NameN-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide
SMILESNC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)n2c(-c3ccccn3)nc3ccccc32)c2ccccc21
InChIInChI=1S/C25H20N8O4/c26-20(34)14-32-18-10-3-1-7-15(18)22(24(32)36)31-30-21(35)13-28-25(37)33-19-11-4-2-8-16(19)29-23(33)17-9-5-6-12-27-17/h1-12,36H,13-14H2,(H2,26,34)(H,28,37)/b31-30+
InChIKeyYKHYOEYIMMSLSI-NVQSTNCTSA-N
XLogP3.11
TPSA169.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide?
The IUPAC name of N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide (CID 3429454) is N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide.
What is the SMILES notation for N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide?
The canonical SMILES for N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide is NC(=O)Cn1c(O)c(/N=N/C(=O)CNC(=O)n2c(-c3ccccn3)nc3ccccc32)c2ccccc21.
What is the InChIKey of N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide?
The InChIKey is YKHYOEYIMMSLSI-NVQSTNCTSA-N. The full InChI is InChI=1S/C25H20N8O4/c26-20(34)14-32-18-10-3-1-7-15(18)22(24(32)36)31-30-21(35)13-28-25(37)33-19-11-4-2-8-16(19)29-23(33)17-9-5-6-12-27-17/h1-12,36H,13-14H2,(H2,26,34)(H,28,37)/b31-30+.
What are the key properties of N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide?
N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide has a molecular weight of 496.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2-amino-2-oxoethyl)-2-hydroxyindol-3-yl]diazenyl]-2-oxoethyl]-2-pyridin-2-ylbenzimidazole-1-carboxamide is sourced from PubChem (CID 3429454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).