N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide

C23H20N6O3 — CID 22041150

IUPACN-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc4c(c2)C(=O)NC4)n3C)ccn1
InChIInChI=1S/C23H20N6O3/c1-24-22(31)19-11-16(7-8-25-19)32-15-5-6-20-18(10-15)28-23(29(20)2)27-14-4-3-13-12-26-21(30)17(13)9-14/h3-11H,12H2,1-2H3,(H,24,31)(H,26,30)(H,27,28)
InChIKeyUUTLGDILKOJIGW-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.11
Rot. Bonds5

About N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide

N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide (PubChem CID 22041150) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide
PubChem CID22041150
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC NameN-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc4c(c2)C(=O)NC4)n3C)ccn1
InChIInChI=1S/C23H20N6O3/c1-24-22(31)19-11-16(7-8-25-19)32-15-5-6-20-18(10-15)28-23(29(20)2)27-14-4-3-13-12-26-21(30)17(13)9-14/h3-11H,12H2,1-2H3,(H,24,31)(H,26,30)(H,27,28)
InChIKeyUUTLGDILKOJIGW-UHFFFAOYSA-N
XLogP3.11
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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-(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-[4-(4-nitrophenoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040422
4-[2-[4-chloro-3-(2-oxopropyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 158016312
4-[2-[4-(3,5-dimethylpiperazine-1-carbonyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040910
4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
CID 159945449
N-methyl-4-[1-methyl-2-(3-phenylmethoxyanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040628
N-methyl-4-[1-methyl-2-[4-(4-methyl-1,4-diazepane-1-carbonyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041159
4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041074
4-[2-[3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040449

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide (CID 22041150) is N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc4c(c2)C(=O)NC4)n3C)ccn1.
What is the InChIKey of N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The InChIKey is UUTLGDILKOJIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-24-22(31)19-11-16(7-8-25-19)32-15-5-6-20-18(10-15)28-23(29(20)2)27-14-4-3-13-12-26-21(30)17(13)9-14/h3-11H,12H2,1-2H3,(H,24,31)(H,26,30)(H,27,28).
What are the key properties of N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 22041150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).