N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide

C15H13F3N4O3 — CID 87718958

IUPACN-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3cccc(OC(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C15H13F3N4O3/c16-15(17,18)25-11-3-1-2-10(6-11)14(4-5-14)21-13-19-7-9(8-20-13)12(23)22-24/h1-3,6-8,24H,4-5H2,(H,22,23)(H,19,20,21)
InChIKeyQFABLNFHUNZFGI-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.60
Rot. Bonds5

About N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide

N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide (PubChem CID 87718958) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide
PubChem CID87718958
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC NameN-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3cccc(OC(F)(F)F)c3)CC2)nc1
InChIInChI=1S/C15H13F3N4O3/c16-15(17,18)25-11-3-1-2-10(6-11)14(4-5-14)21-13-19-7-9(8-20-13)12(23)22-24/h1-3,6-8,24H,4-5H2,(H,22,23)(H,19,20,21)
InChIKeyQFABLNFHUNZFGI-UHFFFAOYSA-N
XLogP2.60
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide (CID 87718958) is N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3cccc(OC(F)(F)F)c3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide?
The InChIKey is QFABLNFHUNZFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3/c16-15(17,18)25-11-3-1-2-10(6-11)14(4-5-14)21-13-19-7-9(8-20-13)12(23)22-24/h1-3,6-8,24H,4-5H2,(H,22,23)(H,19,20,21).
What are the key properties of N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide?
N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[1-[3-(trifluoromethoxy)phenyl]cyclopropyl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 87718958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).