2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid

C50H40F6N4O7 — CID 157084878

IUPAC2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
SMILESNC(CO)c1ccccn1.O=C(NC(CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C25H19F3N2O3.C18H11F3O3.C7H10N2O/c26-25(27,28)18-8-10-19(11-9-18)33-23-6-3-4-16-14-17(7-12-20(16)23)24(32)30-22(15-31)21-5-1-2-13-29-21;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;8-6(5-10)7-3-1-2-4-9-7/h1-14,22,31H,15H2,(H,30,32);1-10H,(H,22,23);1-4,6,10H,5,8H2
InChIKeyADYZEUCIYVIHIJ-UHFFFAOYSA-N
MW922.88 g/mol
LogP10.93
Rot. Bonds11

About 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid

2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid (PubChem CID 157084878) has the molecular formula C50H40F6N4O7 and a molecular weight of 922.88 g/mol. Its IUPAC name is 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
PubChem CID157084878
Molecular FormulaC50H40F6N4O7
Molecular Weight922.88 g/mol
Exact Mass922.28
IUPAC Name2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
SMILESNC(CO)c1ccccn1.O=C(NC(CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C25H19F3N2O3.C18H11F3O3.C7H10N2O/c26-25(27,28)18-8-10-19(11-9-18)33-23-6-3-4-16-14-17(7-12-20(16)23)24(32)30-22(15-31)21-5-1-2-13-29-21;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;8-6(5-10)7-3-1-2-4-9-7/h1-14,22,31H,15H2,(H,30,32);1-10H,(H,22,23);1-4,6,10H,5,8H2
InChIKeyADYZEUCIYVIHIJ-UHFFFAOYSA-N
XLogP10.93
TPSA177.12 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.88
LogP ≤ 510.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213959
N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;naphthalene-1-carboxamide
CID 175540778
5-[4-[difluoro(phosphanyl)methyl]phenoxy]-N-(2-hydroxy-1-pyridin-2-ylethyl)naphthalene-2-carboxamide
CID 176698697
methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 161221161
N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155262090
propane;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 163266760
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 167661342
N-[(2R,3S)-4-amino-3-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155223368
N-[(2S)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214013
N-[(1R)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213843
N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide
CID 155713246

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid (CID 157084878) is 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid is NC(CO)c1ccccn1.O=C(NC(CO)c1ccccn1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The InChIKey is ADYZEUCIYVIHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3.C18H11F3O3.C7H10N2O/c26-25(27,28)18-8-10-19(11-9-18)33-23-6-3-4-16-14-17(7-12-20(16)23)24(32)30-22(15-31)21-5-1-2-13-29-21;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;8-6(5-10)7-3-1-2-4-9-7/h1-14,22,31H,15H2,(H,30,32);1-10H,(H,22,23);1-4,6,10H,5,8H2.
What are the key properties of 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid has a molecular weight of 922.88 g/mol, XLogP of 10.93, 11 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 157084878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).