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

C20H16FN5O2 — CID 21037145

IUPAC4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4F)[nH]c3c2)ccn1
InChIInChI=1S/C20H16FN5O2/c1-22-19(27)18-11-13(8-9-23-18)28-12-6-7-16-17(10-12)26-20(25-16)24-15-5-3-2-4-14(15)21/h2-11H,1H3,(H,22,27)(H2,24,25,26)
InChIKeyUCUKGBSLXYXCBQ-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.99
Rot. Bonds5

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

4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 21037145) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID21037145
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4F)[nH]c3c2)ccn1
InChIInChI=1S/C20H16FN5O2/c1-22-19(27)18-11-13(8-9-23-18)28-12-6-7-16-17(10-12)26-20(25-16)24-15-5-3-2-4-14(15)21/h2-11H,1H3,(H,22,27)(H2,24,25,26)
InChIKeyUCUKGBSLXYXCBQ-UHFFFAOYSA-N
XLogP3.99
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-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

Related Compounds

4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 21037137
4-[[2-(4-tert-butylanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 22040656
4-[[2-(2-methoxyanilino)-3H-benzimidazol-5-yl]oxy]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 11155078
4-[[2-[4-chloro-3-(1,1-difluoroethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 142815596
4-[[2-(cyclohexylmethylamino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 71019338
1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one
CID 157132919
N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen
CID 159099753
4-[2-(3-fluoro-2-methylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254892
4-[[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 135820311
2-[4-[[2-(2-ethylanilino)-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]acetamide
CID 22041257
4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
CID 143028856
4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide (CID 21037145) is 4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4F)[nH]c3c2)ccn1.
What is the InChIKey of 4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is UCUKGBSLXYXCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-22-19(27)18-11-13(8-9-23-18)28-12-6-7-16-17(10-12)26-20(25-16)24-15-5-3-2-4-14(15)21/h2-11H,1H3,(H,22,27)(H2,24,25,26).
What are the key properties of 4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 21037145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).