N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide

C21H26N6O3 — CID 22041180

IUPACN-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(NCCN2CCOCC2)n3C)ccn1
InChIInChI=1S/C21H26N6O3/c1-22-20(28)18-14-16(5-6-23-18)30-15-3-4-19-17(13-15)25-21(26(19)2)24-7-8-27-9-11-29-12-10-27/h3-6,13-14H,7-12H2,1-2H3,(H,22,28)(H,24,25)
InChIKeyGLFGVOGDOFWXLQ-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.86
Rot. Bonds7

About N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide

N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide (PubChem CID 22041180) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide
PubChem CID22041180
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC NameN-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(NCCN2CCOCC2)n3C)ccn1
InChIInChI=1S/C21H26N6O3/c1-22-20(28)18-14-16(5-6-23-18)30-15-3-4-19-17(13-15)25-21(26(19)2)24-7-8-27-9-11-29-12-10-27/h3-6,13-14H,7-12H2,1-2H3,(H,22,28)(H,24,25)
InChIKeyGLFGVOGDOFWXLQ-UHFFFAOYSA-N
XLogP1.86
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 22040413
N-methyl-4-[1-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040571
4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041264
4-[2-(3-imidazol-1-ylpropylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040660
4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 21037113
4-[2-[2-fluoro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 22040909
4-[2-[3-(2-fluoro-4-pyridinyl)-4-methylanilino]-1-methylbenzimidazol-5-yl]oxy-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 22040699
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
N-methyl-4-[1-methyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040418
N-methyl-4-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)oxypyridine-2-carboxamide;molecular hydrogen
CID 164540019
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
4-[2-(2,4-dibromoanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041058

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide (CID 22041180) is N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(NCCN2CCOCC2)n3C)ccn1.
What is the InChIKey of N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide?
The InChIKey is GLFGVOGDOFWXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-22-20(28)18-14-16(5-6-23-18)30-15-3-4-19-17(13-15)25-21(26(19)2)24-7-8-27-9-11-29-12-10-27/h3-6,13-14H,7-12H2,1-2H3,(H,22,28)(H,24,25).
What are the key properties of N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide?
N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-methyl-2-(2-morpholin-4-ylethylamino)benzimidazol-5-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 22041180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).