2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide

C23H26N8O — CID 170187388

IUPAC2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide
SMILESC=N/C(=C\N(C)c1cccc2[nH]cnc12)c1cc(C(=O)NCC)cc(C(=C/C)/N=N/C)n1
InChIInChI=1S/C23H26N8O/c1-6-16(30-25-4)18-11-15(23(32)26-7-2)12-19(29-18)20(24-3)13-31(5)21-10-8-9-17-22(21)28-14-27-17/h6,8-14H,3,7H2,1-2,4-5H3,(H,26,32)(H,27,28)/b16-6-,20-13-,30-25+
InChIKeyXLGAPFUSBOFEOS-GWLABIBVSA-N
MW430.52 g/mol
LogP4.29
Rot. Bonds8

About 2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide

2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide (PubChem CID 170187388) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is 2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide
PubChem CID170187388
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC Name2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide
SMILESC=N/C(=C\N(C)c1cccc2[nH]cnc12)c1cc(C(=O)NCC)cc(C(=C/C)/N=N/C)n1
InChIInChI=1S/C23H26N8O/c1-6-16(30-25-4)18-11-15(23(32)26-7-2)12-19(29-18)20(24-3)13-31(5)21-10-8-9-17-22(21)28-14-27-17/h6,8-14H,3,7H2,1-2,4-5H3,(H,26,32)(H,27,28)/b16-6-,20-13-,30-25+
InChIKeyXLGAPFUSBOFEOS-GWLABIBVSA-N
XLogP4.29
TPSA110.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-2-(1H-benzimidazol-4-ylamino)-1-diazenylethenyl]-6-[1-(3H-benzimidazol-4-yl)triazol-4-yl]-N-ethylpyridine-4-carboxamide
CID 164735948
N-[(4-methylsulfanylphenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide
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N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-benzimidazole-4-carboxamide
CID 139011822
N-(1H-benzimidazol-4-yl)-4-ethyl-3-methylsulfonylbenzamide
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N-(3-methylbutyl)-1H-benzimidazole-4-carboxamide
CID 110700889
N-(4-aminobutan-2-yl)-1H-benzimidazole-4-carboxamide
CID 91470485
dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
CID 139213338
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
ethane;3-[ethenyl-[(E)-ethylideneamino]amino]-N-ethylbenzamide
CID 142945288
[3-(ethylcarbamoyl)phenyl]boronic acid
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N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
CID 110700901
N-[2-(3-methoxyphenyl)ethyl]-1H-benzimidazole-4-carboxamide
CID 110700851

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide (CID 170187388) is 2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide is C=N/C(=C\N(C)c1cccc2[nH]cnc12)c1cc(C(=O)NCC)cc(C(=C/C)/N=N/C)n1.
What is the InChIKey of 2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide?
The InChIKey is XLGAPFUSBOFEOS-GWLABIBVSA-N. The full InChI is InChI=1S/C23H26N8O/c1-6-16(30-25-4)18-11-15(23(32)26-7-2)12-19(29-18)20(24-3)13-31(5)21-10-8-9-17-22(21)28-14-27-17/h6,8-14H,3,7H2,1-2,4-5H3,(H,26,32)(H,27,28)/b16-6-,20-13-,30-25+.
What are the key properties of 2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide?
2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[1H-benzimidazol-4-yl(methyl)amino]-1-(methylideneamino)ethenyl]-N-ethyl-6-[(Z)-1-(methyldiazenyl)prop-1-enyl]pyridine-4-carboxamide is sourced from PubChem (CID 170187388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).