N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide

C17H16F3N5O2 — CID 59783770

IUPACN-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2C[C@H]3C[C@@H]2CN3c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)11-1-3-12(4-2-11)24-8-14-5-13(24)9-25(14)16-21-6-10(7-22-16)15(26)23-27/h1-4,6-7,13-14,27H,5,8-9H2,(H,23,26)/t13-,14-/m1/s1
InChIKeyHSAHXUAUVANYIQ-ZIAGYGMSSA-N
MW379.34 g/mol
LogP2.08
Rot. Bonds3

About N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide (PubChem CID 59783770) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
PubChem CID59783770
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC NameN-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2C[C@H]3C[C@@H]2CN3c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)11-1-3-12(4-2-11)24-8-14-5-13(24)9-25(14)16-21-6-10(7-22-16)15(26)23-27/h1-4,6-7,13-14,27H,5,8-9H2,(H,23,26)/t13-,14-/m1/s1
InChIKeyHSAHXUAUVANYIQ-ZIAGYGMSSA-N
XLogP2.08
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide (CID 59783770) is N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2C[C@H]3C[C@@H]2CN3c2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is HSAHXUAUVANYIQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c18-17(19,20)11-1-3-12(4-2-11)24-8-14-5-13(24)9-25(14)16-21-6-10(7-22-16)15(26)23-27/h1-4,6-7,13-14,27H,5,8-9H2,(H,23,26)/t13-,14-/m1/s1.
What are the key properties of N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(1R,4R)-5-[4-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 59783770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).