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

C21H16F3N5O2 — CID 22040857

IUPACN-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4C(F)(F)F)[nH]c3c2)ccn1
InChIInChI=1S/C21H16F3N5O2/c1-25-19(30)18-11-13(8-9-26-18)31-12-6-7-16-17(10-12)29-20(28-16)27-15-5-3-2-4-14(15)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)
InChIKeyDRPGFJBVBAHNNV-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.87
Rot. Bonds5

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

N-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 22040857) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is N-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
PubChem CID22040857
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC NameN-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4C(F)(F)F)[nH]c3c2)ccn1
InChIInChI=1S/C21H16F3N5O2/c1-25-19(30)18-11-13(8-9-26-18)31-12-6-7-16-17(10-12)29-20(28-16)27-15-5-3-2-4-14(15)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)
InChIKeyDRPGFJBVBAHNNV-UHFFFAOYSA-N
XLogP4.87
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide (CID 22040857) is N-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4C(F)(F)F)[nH]c3c2)ccn1.
What is the InChIKey of N-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is DRPGFJBVBAHNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-25-19(30)18-11-13(8-9-26-18)31-12-6-7-16-17(10-12)29-20(28-16)27-15-5-3-2-4-14(15)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29).
What are the key properties of N-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 427.39 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[2-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 22040857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).