4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

C22H18N6O3 — CID 71010320

IUPAC4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(C#N)cc2O)n3C)ccn1
InChIInChI=1S/C22H18N6O3/c1-24-21(30)18-11-15(7-8-25-18)31-14-4-6-19-17(10-14)27-22(28(19)2)26-16-5-3-13(12-23)9-20(16)29/h3-11,29H,1-2H3,(H,24,30)(H,26,27)
InChIKeyORIWGUHAUOYQLB-UHFFFAOYSA-N
MW414.43 g/mol
LogP3.44
Rot. Bonds5

About 4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 71010320) has the molecular formula C22H18N6O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is 4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID71010320
Molecular FormulaC22H18N6O3
Molecular Weight414.43 g/mol
Exact Mass414.14
IUPAC Name4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(C#N)cc2O)n3C)ccn1
InChIInChI=1S/C22H18N6O3/c1-24-21(30)18-11-15(7-8-25-18)31-14-4-6-19-17(10-14)27-22(28(19)2)26-16-5-3-13(12-23)9-20(16)29/h3-11,29H,1-2H3,(H,24,30)(H,26,27)
InChIKeyORIWGUHAUOYQLB-UHFFFAOYSA-N
XLogP3.44
TPSA125.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041058
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
N-methyl-4-[1-methyl-2-[4-(4-nitrophenoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040422
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
N-methyl-4-[1-methyl-2-[4-(propan-2-ylcarbamoyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040471
N-methyl-4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)oxypyridine-2-carboxamide;molecular hydrogen
CID 164540019
4-[2-[5-(3-fluoro-4-pyridinyl)-2-methoxyanilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 70921729
4-[2-[3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040449
4-[2-[4-chloro-3-(2-oxopropyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 158016312
4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041264
N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041150

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 71010320) is 4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(C#N)cc2O)n3C)ccn1.
What is the InChIKey of 4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is ORIWGUHAUOYQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3/c1-24-21(30)18-11-15(7-8-25-18)31-14-4-6-19-17(10-14)27-22(28(19)2)26-16-5-3-13(12-23)9-20(16)29/h3-11,29H,1-2H3,(H,24,30)(H,26,27).
What are the key properties of 4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-cyano-2-hydroxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 71010320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).