3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C11H11F6N3O2 — CID 58442308

IUPAC3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(O)(CNC(=O)c1ncc(C(F)(F)F)cc1N)C(F)(F)F
InChIInChI=1S/C11H11F6N3O2/c1-9(22,11(15,16)17)4-20-8(21)7-6(18)2-5(3-19-7)10(12,13)14/h2-3,22H,4,18H2,1H3,(H,20,21)
InChIKeyPOGTUVIIGKHISG-UHFFFAOYSA-N
MW331.22 g/mol
LogP1.73
Rot. Bonds3

About 3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 58442308) has the molecular formula C11H11F6N3O2 and a molecular weight of 331.22 g/mol. Its IUPAC name is 3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID58442308
Molecular FormulaC11H11F6N3O2
Molecular Weight331.22 g/mol
Exact Mass331.08
IUPAC Name3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(O)(CNC(=O)c1ncc(C(F)(F)F)cc1N)C(F)(F)F
InChIInChI=1S/C11H11F6N3O2/c1-9(22,11(15,16)17)4-20-8(21)7-6(18)2-5(3-19-7)10(12,13)14/h2-3,22H,4,18H2,1H3,(H,20,21)
InChIKeyPOGTUVIIGKHISG-UHFFFAOYSA-N
XLogP1.73
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 58442308) is 3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is CC(O)(CNC(=O)c1ncc(C(F)(F)F)cc1N)C(F)(F)F.
What is the InChIKey of 3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is POGTUVIIGKHISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N3O2/c1-9(22,11(15,16)17)4-20-8(21)7-6(18)2-5(3-19-7)10(12,13)14/h2-3,22H,4,18H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 331.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 58442308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).