6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

C24H16F3N3O2 — CID 86272611

IUPAC6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3-c3cccnc3)cc2)n1
InChIInChI=1S/C24H16F3N3O2/c25-24(26,27)17-8-11-22(19(13-17)16-3-2-12-29-14-16)32-18-9-6-15(7-10-18)20-4-1-5-21(30-20)23(28)31/h1-14H,(H2,28,31)
InChIKeyCVJKHRBQJFIYJB-UHFFFAOYSA-N
MW435.41 g/mol
LogP5.72
Rot. Bonds5

About 6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 86272611) has the molecular formula C24H16F3N3O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID86272611
Molecular FormulaC24H16F3N3O2
Molecular Weight435.41 g/mol
Exact Mass435.12
IUPAC Name6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3-c3cccnc3)cc2)n1
InChIInChI=1S/C24H16F3N3O2/c25-24(26,27)17-8-11-22(19(13-17)16-3-2-12-29-14-16)32-18-9-6-15(7-10-18)20-4-1-5-21(30-20)23(28)31/h1-14H,(H2,28,31)
InChIKeyCVJKHRBQJFIYJB-UHFFFAOYSA-N
XLogP5.72
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (CID 86272611) is 6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is NC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3-c3cccnc3)cc2)n1.
What is the InChIKey of 6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is CVJKHRBQJFIYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O2/c25-24(26,27)17-8-11-22(19(13-17)16-3-2-12-29-14-16)32-18-9-6-15(7-10-18)20-4-1-5-21(30-20)23(28)31/h1-14H,(H2,28,31).
What are the key properties of 6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-pyridin-3-yl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86272611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).