2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide

C13H8F6N4O2 — CID 57380292

IUPAC2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1
InChIInChI=1S/C13H8F6N4O2/c14-12(15,16)7-1-8(13(17,18)19)3-9(2-7)22-11-20-4-6(5-21-11)10(24)23-25/h1-5,25H,(H,23,24)(H,20,21,22)
InChIKeyWMGVCXNZMLJKND-UHFFFAOYSA-N
MW366.22 g/mol
LogP3.38
Rot. Bonds3

About 2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide

2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 57380292) has the molecular formula C13H8F6N4O2 and a molecular weight of 366.22 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID57380292
Molecular FormulaC13H8F6N4O2
Molecular Weight366.22 g/mol
Exact Mass366.06
IUPAC Name2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1
InChIInChI=1S/C13H8F6N4O2/c14-12(15,16)7-1-8(13(17,18)19)3-9(2-7)22-11-20-4-6(5-21-11)10(24)23-25/h1-5,25H,(H,23,24)(H,20,21,22)
InChIKeyWMGVCXNZMLJKND-UHFFFAOYSA-N
XLogP3.38
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide (CID 57380292) is 2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is WMGVCXNZMLJKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F6N4O2/c14-12(15,16)7-1-8(13(17,18)19)3-9(2-7)22-11-20-4-6(5-21-11)10(24)23-25/h1-5,25H,(H,23,24)(H,20,21,22).
What are the key properties of 2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide?
2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)anilino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 57380292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).