4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide

C27H30N6O3 — CID 22040413

IUPAC4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCN5CCOCC5)c4)ccc3n2C)cc1
InChIInChI=1S/C27H30N6O3/c1-19-3-5-20(6-4-19)30-27-31-23-17-21(7-8-25(23)32(27)2)36-22-9-10-28-24(18-22)26(34)29-11-12-33-13-15-35-16-14-33/h3-10,17-18H,11-16H2,1-2H3,(H,29,34)(H,30,31)
InChIKeyUOQSKQJTXYFKEB-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.87
Rot. Bonds8

About 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide

4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 22040413) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
PubChem CID22040413
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
SMILESCc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCN5CCOCC5)c4)ccc3n2C)cc1
InChIInChI=1S/C27H30N6O3/c1-19-3-5-20(6-4-19)30-27-31-23-17-21(7-8-25(23)32(27)2)36-22-9-10-28-24(18-22)26(34)29-11-12-33-13-15-35-16-14-33/h3-10,17-18H,11-16H2,1-2H3,(H,29,34)(H,30,31)
InChIKeyUOQSKQJTXYFKEB-UHFFFAOYSA-N
XLogP3.87
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)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

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide (CID 22040413) is 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide is Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCN5CCOCC5)c4)ccc3n2C)cc1.
What is the InChIKey of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is UOQSKQJTXYFKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-19-3-5-20(6-4-19)30-27-31-23-17-21(7-8-25(23)32(27)2)36-22-9-10-28-24(18-22)26(34)29-11-12-33-13-15-35-16-14-33/h3-10,17-18H,11-16H2,1-2H3,(H,29,34)(H,30,31).
What are the key properties of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide?
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 22040413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).