6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

C69H58F9N9O10 — CID 160561795

IUPAC6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESCC(=O)c1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1.CN(CCO)C(=O)c1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1.CN1CCN(C(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(-c3cccc(C(N)=O)n3)cc2)CC1
InChIInChI=1S/C25H23F3N4O3.C23H20F3N3O4.C21H15F3N2O3/c1-31-11-13-32(14-12-31)24(34)19-15-17(25(26,27)28)7-10-22(19)35-18-8-5-16(6-9-18)20-3-2-4-21(30-20)23(29)33;1-29(11-12-30)22(32)17-13-15(23(24,25)26)7-10-20(17)33-16-8-5-14(6-9-16)18-3-2-4-19(28-18)21(27)31;1-12(27)16-11-14(21(22,23)24)7-10-19(16)29-15-8-5-13(6-9-15)17-3-2-4-18(26-17)20(25)28/h2-10,15H,11-14H2,1H3,(H2,29,33);2-10,13,30H,11-12H2,1H3,(H2,27,31);2-11H,1H3,(H2,25,28)
InChIKeyQZKHMWYLQODYLV-UHFFFAOYSA-N
MW1344.26 g/mol
LogP12.63
Rot. Bonds17

About 6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (PubChem CID 160561795) has the molecular formula C69H58F9N9O10 and a molecular weight of 1344.26 g/mol. Its IUPAC name is 6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
PubChem CID160561795
Molecular FormulaC69H58F9N9O10
Molecular Weight1344.26 g/mol
Exact Mass1343.42
IUPAC Name6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
SMILESCC(=O)c1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1.CN(CCO)C(=O)c1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1.CN1CCN(C(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(-c3cccc(C(N)=O)n3)cc2)CC1
InChIInChI=1S/C25H23F3N4O3.C23H20F3N3O4.C21H15F3N2O3/c1-31-11-13-32(14-12-31)24(34)19-15-17(25(26,27)28)7-10-22(19)35-18-8-5-16(6-9-18)20-3-2-4-21(30-20)23(29)33;1-29(11-12-30)22(32)17-13-15(23(24,25)26)7-10-20(17)33-16-8-5-14(6-9-16)18-3-2-4-19(28-18)21(27)31;1-12(27)16-11-14(21(22,23)24)7-10-19(16)29-15-8-5-13(6-9-15)17-3-2-4-18(26-17)20(25)28/h2-10,15H,11-14H2,1H3,(H2,29,33);2-10,13,30H,11-12H2,1H3,(H2,27,31);2-11H,1H3,(H2,25,28)
InChIKeyQZKHMWYLQODYLV-UHFFFAOYSA-N
XLogP12.63
TPSA276.79 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001344.26
LogP ≤ 512.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

6-[4-[2-[(dimethylamino)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
CID 86275713
6-[4-[2-(pyrrolidin-1-ylmethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
CID 86275236
6-[4-[2-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
CID 123678096
1-[2-[4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]phenoxy]-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone
CID 159160043
6-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 22557494
6-[4-(4-trimethylstannylphenoxy)phenyl]pyridine-2-carboxamide
CID 59501986
2-[4-[2-[(4-methylpiperazin-1-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide
CID 90390458
6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
CID 139382160
6-[4-[4-(aminomethyl)-2-pyridin-3-ylphenoxy]phenyl]pyridine-2-carboxamide
CID 144717341
(4-methylpiperazin-1-yl)-[5-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 147994914
(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
[6-[4-[4-(trifluoromethyl)phenoxy]phenyl]-2-pyridinyl]methanol
CID 66806394

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide (CID 160561795) is 6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is CC(=O)c1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1.CN(CCO)C(=O)c1cc(C(F)(F)F)ccc1Oc1ccc(-c2cccc(C(N)=O)n2)cc1.CN1CCN(C(=O)c2cc(C(F)(F)F)ccc2Oc2ccc(-c3cccc(C(N)=O)n3)cc2)CC1.
What is the InChIKey of 6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
The InChIKey is QZKHMWYLQODYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3.C23H20F3N3O4.C21H15F3N2O3/c1-31-11-13-32(14-12-31)24(34)19-15-17(25(26,27)28)7-10-22(19)35-18-8-5-16(6-9-18)20-3-2-4-21(30-20)23(29)33;1-29(11-12-30)22(32)17-13-15(23(24,25)26)7-10-20(17)33-16-8-5-14(6-9-16)18-3-2-4-19(28-18)21(27)31;1-12(27)16-11-14(21(22,23)24)7-10-19(16)29-15-8-5-13(6-9-15)17-3-2-4-18(26-17)20(25)28/h2-10,15H,11-14H2,1H3,(H2,29,33);2-10,13,30H,11-12H2,1H3,(H2,27,31);2-11H,1H3,(H2,25,28).
What are the key properties of 6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide?
6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide has a molecular weight of 1344.26 g/mol, XLogP of 12.63, 17 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-acetyl-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-[2-hydroxyethyl(methyl)carbamoyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide;6-[4-[2-(4-methylpiperazine-1-carbonyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 160561795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).