N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid

C34H25F6N7O6 — CID 167597183

IUPACN-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(NCCO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.O=C(O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C18H15F3N4O3.C16H10F3N3O3/c19-18(20,21)12-3-1-11(2-4-12)15-10-24-17(28-15)25-13-5-6-14(23-9-13)16(27)22-7-8-26;17-16(18,19)10-3-1-9(2-4-10)13-8-21-15(25-13)22-11-5-6-12(14(23)24)20-7-11/h1-6,9-10,26H,7-8H2,(H,22,27)(H,24,25);1-8H,(H,21,22)(H,23,24)
InChIKeyJFRZDBYYTLKYRL-UHFFFAOYSA-N
MW741.60 g/mol
LogP7.42
Rot. Bonds10

About N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid

N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 167597183) has the molecular formula C34H25F6N7O6 and a molecular weight of 741.60 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID167597183
Molecular FormulaC34H25F6N7O6
Molecular Weight741.60 g/mol
Exact Mass741.18
IUPAC NameN-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(NCCO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.O=C(O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C18H15F3N4O3.C16H10F3N3O3/c19-18(20,21)12-3-1-11(2-4-12)15-10-24-17(28-15)25-13-5-6-14(23-9-13)16(27)22-7-8-26;17-16(18,19)10-3-1-9(2-4-10)13-8-21-15(25-13)22-11-5-6-12(14(23)24)20-7-11/h1-6,9-10,26H,7-8H2,(H,22,27)(H,24,25);1-8H,(H,21,22)(H,23,24)
InChIKeyJFRZDBYYTLKYRL-UHFFFAOYSA-N
XLogP7.42
TPSA188.53 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500741.60
LogP ≤ 57.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid with MolForge

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Related Compounds

N-(2-oxoethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 167659066
N-[(2R)-2,3-dihydroxypropyl]-5-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 155585279
5-[[4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid
CID 155585171
N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109180759
N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide
CID 164936178
5-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one
CID 155585282
1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
CID 157392121
N-(2,6-difluorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109200327
1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
CID 155585257
5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
CID 156506688
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-sulfinamide
CID 155585482
methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate
CID 155585480

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid (CID 167597183) is N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid is O=C(NCCO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.O=C(O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.
What is the InChIKey of N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is JFRZDBYYTLKYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3.C16H10F3N3O3/c19-18(20,21)12-3-1-11(2-4-12)15-10-24-17(28-15)25-13-5-6-14(23-9-13)16(27)22-7-8-26;17-16(18,19)10-3-1-9(2-4-10)13-8-21-15(25-13)22-11-5-6-12(14(23)24)20-7-11/h1-6,9-10,26H,7-8H2,(H,22,27)(H,24,25);1-8H,(H,21,22)(H,23,24).
What are the key properties of N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid?
N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 741.60 g/mol, XLogP of 7.42, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 167597183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).