6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide

C22H18F3N3O4 — CID 139382160

IUPAC6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(-c3cc(CCO)cc(C(N)=O)n3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C22H18F3N3O4/c23-22(24,25)16-11-14(20(26)30)3-6-19(16)32-15-4-1-13(2-5-15)17-9-12(7-8-29)10-18(28-17)21(27)31/h1-6,9-11,29H,7-8H2,(H2,26,30)(H2,27,31)
InChIKeyLSTURJXKKYCNMR-UHFFFAOYSA-N
MW445.40 g/mol
LogP3.29
Rot. Bonds7

About 6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide

6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide (PubChem CID 139382160) has the molecular formula C22H18F3N3O4 and a molecular weight of 445.40 g/mol. Its IUPAC name is 6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
PubChem CID139382160
Molecular FormulaC22H18F3N3O4
Molecular Weight445.40 g/mol
Exact Mass445.12
IUPAC Name6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(-c3cc(CCO)cc(C(N)=O)n3)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C22H18F3N3O4/c23-22(24,25)16-11-14(20(26)30)3-6-19(16)32-15-4-1-13(2-5-15)17-9-12(7-8-29)10-18(28-17)21(27)31/h1-6,9-11,29H,7-8H2,(H2,26,30)(H2,27,31)
InChIKeyLSTURJXKKYCNMR-UHFFFAOYSA-N
XLogP3.29
TPSA128.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4,6-bis(2-hydroxyethyl)-2-pyridinyl]phenoxy]-3-(trifluoromethyl)benzonitrile
CID 123599881
6-[4-[4-chloro-2-methanimidoyl-3-(methylamino)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
CID 146539568
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
6-[4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-chlorophenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
CID 144717308
4-[(2R)-2,3-dihydroxypropyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66799547
4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide
CID 170999511
propyl 4-(4-propoxycarbonylphenoxy)-3-(trifluoromethyl)benzoate
CID 139980831
6-[4-[2-[(dimethylamino)methyl]-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide
CID 86275713
4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66806391
4-[(3-bromo-4-pyridinyl)oxy]-3-(trifluoromethyl)benzamide
CID 104778965
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid
CID 104629499
2-amino-3-[4-[4-(diaminomethylidenecarbamoyl)-2-(trifluoromethyl)phenoxy]phenyl]propanoic acid
CID 85065873

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide (CID 139382160) is 6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide is NC(=O)c1ccc(Oc2ccc(-c3cc(CCO)cc(C(N)=O)n3)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
The InChIKey is LSTURJXKKYCNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O4/c23-22(24,25)16-11-14(20(26)30)3-6-19(16)32-15-4-1-13(2-5-15)17-9-12(7-8-29)10-18(28-17)21(27)31/h1-6,9-11,29H,7-8H2,(H2,26,30)(H2,27,31).
What are the key properties of 6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide?
6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide has a molecular weight of 445.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-carbamoyl-2-(trifluoromethyl)phenoxy]phenyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 139382160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).