4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide

C21H19N5O2 — CID 22040802

IUPAC4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2)n3C)ccn1
InChIInChI=1S/C21H19N5O2/c1-22-20(27)18-13-16(10-11-23-18)28-15-8-9-19-17(12-15)25-21(26(19)2)24-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,27)(H,24,25)
InChIKeyGLRHEOXLLKWUGI-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.86
Rot. Bonds5

About 4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide

4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide (PubChem CID 22040802) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide
PubChem CID22040802
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2)n3C)ccn1
InChIInChI=1S/C21H19N5O2/c1-22-20(27)18-13-16(10-11-23-18)28-15-8-9-19-17(12-15)25-21(26(19)2)24-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,27)(H,24,25)
InChIKeyGLRHEOXLLKWUGI-UHFFFAOYSA-N
XLogP3.86
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide (CID 22040802) is 4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2)n3C)ccn1.
What is the InChIKey of 4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide?
The InChIKey is GLRHEOXLLKWUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-22-20(27)18-13-16(10-11-23-18)28-15-8-9-19-17(12-15)25-21(26(19)2)24-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,27)(H,24,25).
What are the key properties of 4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide?
4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22040802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).