4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide

C25H27N5O4 — CID 22040948

IUPAC4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2OC)n3C)ccn1
InChIInChI=1S/C25H27N5O4/c1-30-22-10-9-17(15-20(22)29-25(30)28-19-7-4-5-8-23(19)33-3)34-18-11-13-26-21(16-18)24(31)27-12-6-14-32-2/h4-5,7-11,13,15-16H,6,12,14H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyWBXMPGCPQNJVGF-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.28
Rot. Bonds10

About 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide

4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 22040948) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide
PubChem CID22040948
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2OC)n3C)ccn1
InChIInChI=1S/C25H27N5O4/c1-30-22-10-9-17(15-20(22)29-25(30)28-19-7-4-5-8-23(19)33-3)34-18-11-13-26-21(16-18)24(31)27-12-6-14-32-2/h4-5,7-11,13,15-16H,6,12,14H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyWBXMPGCPQNJVGF-UHFFFAOYSA-N
XLogP4.28
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 22040603
4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 11155078
4-[2-[4-chloro-3-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 22040431
N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040616
4-[2-(5-chloro-2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
CID 22041162
4-[2-[5-(3-fluoro-4-pyridinyl)-2-methoxyanilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 70921729
4-[2-(4-ethenylanilino)-1-methylbenzimidazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 89129903
4-[1-methyl-2-[3-propan-2-yl-4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxy-N-(4-oxopentyl)pyridine-2-carboxamide
CID 162135849
4-[2-(4-ethyl-3-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-hydroxyethyl)pyridine-2-carboxamide;molecular hydrogen
CID 158503774
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082586
4-[2-(4-bromo-3-methylanilino)-6-methoxy-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 22040932
N-[3-(1-methylpiperidin-4-yl)propyl]-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 59434844

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide (CID 22040948) is 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide is COCCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2OC)n3C)ccn1.
What is the InChIKey of 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is WBXMPGCPQNJVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-30-22-10-9-17(15-20(22)29-25(30)28-19-7-4-5-8-23(19)33-3)34-18-11-13-26-21(16-18)24(31)27-12-6-14-32-2/h4-5,7-11,13,15-16H,6,12,14H2,1-3H3,(H,27,31)(H,28,29).
What are the key properties of 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide?
4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 22040948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).