N-hydroxy-N-methyl-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

C33H23F6N7O6 — CID 167617776

IUPACN-hydroxy-N-methyl-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
SMILESCN(O)C(=O)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/C17H13F3N4O3.C16H10F3N3O3/c1-24(26)15(25)13-7-6-12(8-21-13)23-16-22-9-14(27-16)10-2-4-11(5-3-10)17(18,19)20;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/h2-9,26H,1H3,(H,22,23);1-8H,(H,21,22)(H,23,24)
InChIKeyLZMWXAHBQBDMNX-UHFFFAOYSA-N
MW727.58 g/mol
LogP8.16
Rot. Bonds8

About N-hydroxy-N-methyl-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-hydroxy-N-methyl-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 167617776) has the molecular formula C33H23F6N7O6 and a molecular weight of 727.58 g/mol. Its IUPAC name is N-hydroxy-N-methyl-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-hydroxy-N-methyl-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 CID167617776
Molecular FormulaC33H23F6N7O6
Molecular Weight727.58 g/mol
Exact Mass727.16
IUPAC NameN-hydroxy-N-methyl-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
SMILESCN(O)C(=O)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/C17H13F3N4O3.C16H10F3N3O3/c1-24(26)15(25)13-7-6-12(8-21-13)23-16-22-9-14(27-16)10-2-4-11(5-3-10)17(18,19)20;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/h2-9,26H,1H3,(H,22,23);1-8H,(H,21,22)(H,23,24)
InChIKeyLZMWXAHBQBDMNX-UHFFFAOYSA-N
XLogP8.16
TPSA179.74 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500727.58
LogP ≤ 58.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-methyl-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-hydroxy-N-methyl-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 167617776) is N-hydroxy-N-methyl-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-hydroxy-N-methyl-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-hydroxy-N-methyl-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 CN(O)C(=O)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-hydroxy-N-methyl-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 LZMWXAHBQBDMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3.C16H10F3N3O3/c1-24(26)15(25)13-7-6-12(8-21-13)23-16-22-9-14(27-16)10-2-4-11(5-3-10)17(18,19)20;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/h2-9,26H,1H3,(H,22,23);1-8H,(H,21,22)(H,23,24).
What are the key properties of N-hydroxy-N-methyl-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-hydroxy-N-methyl-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 727.58 g/mol, XLogP of 8.16, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyl-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 167617776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).