4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide

C24H25N5O4 — CID 11155078

IUPAC4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4OC)[nH]c3c2)ccn1
InChIInChI=1S/C24H25N5O4/c1-31-13-5-11-26-23(30)21-15-17(10-12-25-21)33-16-8-9-18-20(14-16)29-24(27-18)28-19-6-3-4-7-22(19)32-2/h3-4,6-10,12,14-15H,5,11,13H2,1-2H3,(H,26,30)(H2,27,28,29)
InChIKeyRYITVUMJJOVAOU-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.27
Rot. Bonds10

About 4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide

4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 11155078) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide
PubChem CID11155078
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4OC)[nH]c3c2)ccn1
InChIInChI=1S/C24H25N5O4/c1-31-13-5-11-26-23(30)21-15-17(10-12-25-21)33-16-8-9-18-20(14-16)29-24(27-18)28-19-6-3-4-7-22(19)32-2/h3-4,6-10,12,14-15H,5,11,13H2,1-2H3,(H,26,30)(H2,27,28,29)
InChIKeyRYITVUMJJOVAOU-UHFFFAOYSA-N
XLogP4.27
TPSA110.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 22040948
4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 21037145
4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 22040603
6-methoxy-N-(2-methoxyphenyl)-1H-benzimidazol-2-amine
CID 82562560
1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one
CID 157132919
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082586
2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
CID 22041257
N-(3-methoxypropyl)-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109206145
4-[[2-(4-tert-butylanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 22040656
4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 21037137
1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
CID 142774094
4-(3-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206140

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide (CID 11155078) is 4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide is COCCCNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4OC)[nH]c3c2)ccn1.
What is the InChIKey of 4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is RYITVUMJJOVAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-31-13-5-11-26-23(30)21-15-17(10-12-25-21)33-16-8-9-18-20(14-16)29-24(27-18)28-19-6-3-4-7-22(19)32-2/h3-4,6-10,12,14-15H,5,11,13H2,1-2H3,(H,26,30)(H2,27,28,29).
What are the key properties of 4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide?
4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 4.27, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 11155078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).