6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

C26H20F3N3O2 — CID 66799591

IUPAC6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESCN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc(C(N)=O)n1
InChIInChI=1S/C26H20F3N3O2/c1-32(20-5-3-2-4-6-20)24-16-18(15-23(31-24)25(30)33)17-7-11-21(12-8-17)34-22-13-9-19(10-14-22)26(27,28)29/h2-16H,1H3,(H2,30,33)
InChIKeyNWZXFPDRFAWRCC-UHFFFAOYSA-N
MW463.46 g/mol
LogP6.43
Rot. Bonds6

About 6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 66799591) has the molecular formula C26H20F3N3O2 and a molecular weight of 463.46 g/mol. Its IUPAC name is 6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID66799591
Molecular FormulaC26H20F3N3O2
Molecular Weight463.46 g/mol
Exact Mass463.15
IUPAC Name6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESCN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc(C(N)=O)n1
InChIInChI=1S/C26H20F3N3O2/c1-32(20-5-3-2-4-6-20)24-16-18(15-23(31-24)25(30)33)17-7-11-21(12-8-17)34-22-13-9-19(10-14-22)26(27,28)29/h2-16H,1H3,(H2,30,33)
InChIKeyNWZXFPDRFAWRCC-UHFFFAOYSA-N
XLogP6.43
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.46
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (CID 66799591) is 6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is CN(c1ccccc1)c1cc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)cc(C(N)=O)n1.
What is the InChIKey of 6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is NWZXFPDRFAWRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O2/c1-32(20-5-3-2-4-6-20)24-16-18(15-23(31-24)25(30)33)17-7-11-21(12-8-17)34-22-13-9-19(10-14-22)26(27,28)29/h2-16H,1H3,(H2,30,33).
What are the key properties of 6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 463.46 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-methylanilino)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 66799591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).