6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

C48H46F6N6O5 — CID 161128268

IUPAC6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESC1CCNC1.COc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1.NC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3CN3CCCC3)cc2)n1
InChIInChI=1S/C24H22F3N3O2.C20H15F3N2O3.C4H9N/c25-24(26,27)18-8-11-22(17(14-18)15-30-12-1-2-13-30)32-19-9-6-16(7-10-19)20-4-3-5-21(29-20)23(28)31;1-27-18-11-13(20(21,22)23)7-10-17(18)28-14-8-5-12(6-9-14)15-3-2-4-16(25-15)19(24)26;1-2-4-5-3-1/h3-11,14H,1-2,12-13,15H2,(H2,28,31);2-11H,1H3,(H2,24,26);5H,1-4H2
InChIKeyULVMCFWLTVKJFP-UHFFFAOYSA-N
MW900.92 g/mol
LogP10.29
Rot. Bonds11

About 6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 161128268) has the molecular formula C48H46F6N6O5 and a molecular weight of 900.92 g/mol. Its IUPAC name is 6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID161128268
Molecular FormulaC48H46F6N6O5
Molecular Weight900.92 g/mol
Exact Mass900.34
IUPAC Name6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESC1CCNC1.COc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1.NC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3CN3CCCC3)cc2)n1
InChIInChI=1S/C24H22F3N3O2.C20H15F3N2O3.C4H9N/c25-24(26,27)18-8-11-22(17(14-18)15-30-12-1-2-13-30)32-19-9-6-16(7-10-19)20-4-3-5-21(29-20)23(28)31;1-27-18-11-13(20(21,22)23)7-10-17(18)28-14-8-5-12(6-9-14)15-3-2-4-16(25-15)19(24)26;1-2-4-5-3-1/h3-11,14H,1-2,12-13,15H2,(H2,28,31);2-11H,1H3,(H2,24,26);5H,1-4H2
InChIKeyULVMCFWLTVKJFP-UHFFFAOYSA-N
XLogP10.29
TPSA154.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.92
LogP ≤ 510.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (CID 161128268) is 6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is C1CCNC1.COc1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1.NC(=O)c1cccc(-c2ccc(Oc3ccc(C(F)(F)F)cc3CN3CCCC3)cc2)n1.
What is the InChIKey of 6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is ULVMCFWLTVKJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2.C20H15F3N2O3.C4H9N/c25-24(26,27)18-8-11-22(17(14-18)15-30-12-1-2-13-30)32-19-9-6-16(7-10-19)20-4-3-5-21(29-20)23(28)31;1-27-18-11-13(20(21,22)23)7-10-17(18)28-14-8-5-12(6-9-14)15-3-2-4-16(25-15)19(24)26;1-2-4-5-3-1/h3-11,14H,1-2,12-13,15H2,(H2,28,31);2-11H,1H3,(H2,24,26);5H,1-4H2.
What are the key properties of 6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 900.92 g/mol, XLogP of 10.29, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-methoxy-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;pyrrolidine;6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 161128268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).