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

C24H25N5O4 — CID 22040603

IUPAC4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2OC)n3C)ccn1
InChIInChI=1S/C24H25N5O4/c1-29-21-9-8-16(33-17-10-11-25-20(15-17)23(30)26-12-13-31-2)14-19(21)28-24(29)27-18-6-4-5-7-22(18)32-3/h4-11,14-15H,12-13H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyOOVGVEDMLWROOT-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.89
Rot. Bonds9

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

4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 22040603) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID22040603
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2OC)n3C)ccn1
InChIInChI=1S/C24H25N5O4/c1-29-21-9-8-16(33-17-10-11-25-20(15-17)23(30)26-12-13-31-2)14-19(21)28-24(29)27-18-6-4-5-7-22(18)32-3/h4-11,14-15H,12-13H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyOOVGVEDMLWROOT-UHFFFAOYSA-N
XLogP3.89
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 22040603) is 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2OC)n3C)ccn1.
What is the InChIKey of 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is OOVGVEDMLWROOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-29-21-9-8-16(33-17-10-11-25-20(15-17)23(30)26-12-13-31-2)14-19(21)28-24(29)27-18-6-4-5-7-22(18)32-3/h4-11,14-15H,12-13H2,1-3H3,(H,26,30)(H,27,28).
What are the key properties of 4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide?
4-[2-(2-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 3.89, 9 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-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 22040603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).