N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide

C23H20F3N5O3 — CID 22040616

IUPACN,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2OC(F)(F)F)n3C)ccn1
InChIInChI=1S/C23H20F3N5O3/c1-30(2)21(32)18-13-15(10-11-27-18)33-14-8-9-19-17(12-14)29-22(31(19)3)28-16-6-4-5-7-20(16)34-23(24,25)26/h4-13H,1-3H3,(H,28,29)
InChIKeyGKEYYFUQCMVHJL-UHFFFAOYSA-N
MW471.44 g/mol
LogP5.10
Rot. Bonds6

About N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide

N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide (PubChem CID 22040616) has the molecular formula C23H20F3N5O3 and a molecular weight of 471.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
PubChem CID22040616
Molecular FormulaC23H20F3N5O3
Molecular Weight471.44 g/mol
Exact Mass471.15
IUPAC NameN,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2OC(F)(F)F)n3C)ccn1
InChIInChI=1S/C23H20F3N5O3/c1-30(2)21(32)18-13-15(10-11-27-18)33-14-8-9-19-17(12-14)29-22(31(19)3)28-16-6-4-5-7-20(16)34-23(24,25)26/h4-13H,1-3H3,(H,28,29)
InChIKeyGKEYYFUQCMVHJL-UHFFFAOYSA-N
XLogP5.10
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide (CID 22040616) is N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide is CN(C)C(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2OC(F)(F)F)n3C)ccn1.
What is the InChIKey of N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The InChIKey is GKEYYFUQCMVHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3/c1-30(2)21(32)18-13-15(10-11-27-18)33-14-8-9-19-17(12-14)29-22(31(19)3)28-16-6-4-5-7-20(16)34-23(24,25)26/h4-13H,1-3H3,(H,28,29).
What are the key properties of N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-methyl-2-[2-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 22040616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).