N-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide

C21H15F3N4O3 — CID 22041067

IUPACN-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4cccc(C(F)(F)F)c4)nc3c2)ccn1
InChIInChI=1S/C21H15F3N4O3/c1-25-19(29)17-11-15(7-8-26-17)30-14-5-6-18-16(10-14)28-20(31-18)27-13-4-2-3-12(9-13)21(22,23)24/h2-11H,1H3,(H,25,29)(H,27,28)
InChIKeyQZMDJVOYYLADMV-UHFFFAOYSA-N
MW428.37 g/mol
LogP5.14
Rot. Bonds5

About N-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide

N-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 22041067) has the molecular formula C21H15F3N4O3 and a molecular weight of 428.37 g/mol. Its IUPAC name is N-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
PubChem CID22041067
Molecular FormulaC21H15F3N4O3
Molecular Weight428.37 g/mol
Exact Mass428.11
IUPAC NameN-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3oc(Nc4cccc(C(F)(F)F)c4)nc3c2)ccn1
InChIInChI=1S/C21H15F3N4O3/c1-25-19(29)17-11-15(7-8-26-17)30-14-5-6-18-16(10-14)28-20(31-18)27-13-4-2-3-12(9-13)21(22,23)24/h2-11H,1H3,(H,25,29)(H,27,28)
InChIKeyQZMDJVOYYLADMV-UHFFFAOYSA-N
XLogP5.14
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.37
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide (CID 22041067) is N-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3oc(Nc4cccc(C(F)(F)F)c4)nc3c2)ccn1.
What is the InChIKey of N-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is QZMDJVOYYLADMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3/c1-25-19(29)17-11-15(7-8-26-17)30-14-5-6-18-16(10-14)28-20(31-18)27-13-4-2-3-12(9-13)21(22,23)24/h2-11H,1H3,(H,25,29)(H,27,28).
What are the key properties of N-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 428.37 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[3-(trifluoromethyl)anilino]-1,3-benzoxazol-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 22041067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).