4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide

C20H17N5O2 — CID 22041111

IUPAC4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4)[nH]c3c2)ccn1
InChIInChI=1S/C20H17N5O2/c1-21-19(26)18-12-15(9-10-22-18)27-14-7-8-16-17(11-14)25-20(24-16)23-13-5-3-2-4-6-13/h2-12H,1H3,(H,21,26)(H2,23,24,25)
InChIKeyLJXIZYBXHYANCP-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.85
Rot. Bonds5

About 4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide

4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide (PubChem CID 22041111) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide
PubChem CID22041111
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4)[nH]c3c2)ccn1
InChIInChI=1S/C20H17N5O2/c1-21-19(26)18-12-15(9-10-22-18)27-14-7-8-16-17(11-14)25-20(24-16)23-13-5-3-2-4-6-13/h2-12H,1H3,(H,21,26)(H2,23,24,25)
InChIKeyLJXIZYBXHYANCP-UHFFFAOYSA-N
XLogP3.85
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide (CID 22041111) is 4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4)[nH]c3c2)ccn1.
What is the InChIKey of 4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is LJXIZYBXHYANCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-21-19(26)18-12-15(9-10-22-18)27-14-7-8-16-17(11-14)25-20(24-16)23-13-5-3-2-4-6-13/h2-12H,1H3,(H,21,26)(H2,23,24,25).
What are the key properties of 4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide?
4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22041111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).