4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen

C28H30N6O3 — CID 157167238

IUPAC4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
SMILESCNC(=O)c1cc(Oc2cc3nc(Nc4ccc(C)c(-c5cccnc5)c4)n(C)c3cc2OC)ccn1.[H][H].[H][H]
InChIInChI=1S/C28H26N6O3.2H2/c1-17-7-8-19(12-21(17)18-6-5-10-30-16-18)32-28-33-22-14-26(25(36-4)15-24(22)34(28)3)37-20-9-11-31-23(13-20)27(35)29-2;;/h5-16H,1-4H3,(H,29,35)(H,32,33);2*1H
InChIKeyANBDWVFUNGDMJY-UHFFFAOYSA-N
MW498.59 g/mol
LogP5.73
Rot. Bonds7

About 4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen

4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen (PubChem CID 157167238) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is 4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
PubChem CID157167238
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
SMILESCNC(=O)c1cc(Oc2cc3nc(Nc4ccc(C)c(-c5cccnc5)c4)n(C)c3cc2OC)ccn1.[H][H].[H][H]
InChIInChI=1S/C28H26N6O3.2H2/c1-17-7-8-19(12-21(17)18-6-5-10-30-16-18)32-28-33-22-14-26(25(36-4)15-24(22)34(28)3)37-20-9-11-31-23(13-20)27(35)29-2;;/h5-16H,1-4H3,(H,29,35)(H,32,33);2*1H
InChIKeyANBDWVFUNGDMJY-UHFFFAOYSA-N
XLogP5.73
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-methoxy-1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040929
4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 22040932
4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 22040595
4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041059
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
4-[2-[5-(3-fluoro-4-pyridinyl)-2-methoxyanilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 70921729
N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 162216166
4-[2-[3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040449
4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
CID 159945449
4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 22041268
N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041150
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of 4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen (CID 157167238) is 4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen is CNC(=O)c1cc(Oc2cc3nc(Nc4ccc(C)c(-c5cccnc5)c4)n(C)c3cc2OC)ccn1.[H][H].[H][H].
What is the InChIKey of 4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen?
The InChIKey is ANBDWVFUNGDMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O3.2H2/c1-17-7-8-19(12-21(17)18-6-5-10-30-16-18)32-28-33-22-14-26(25(36-4)15-24(22)34(28)3)37-20-9-11-31-23(13-20)27(35)29-2;;/h5-16H,1-4H3,(H,29,35)(H,32,33);2*1H.
What are the key properties of 4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen?
4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen has a molecular weight of 498.59 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-1-methyl-2-(4-methyl-3-pyridin-3-ylanilino)benzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 157167238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).