3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C13H16F6N4O2 — CID 166628448

IUPAC3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(C)c1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C13H16F6N4O2/c1-11(25,13(17,18)19)5-21-10(24)8-7(20)4-6(12(14,15)16)9(22-8)23(2)3/h4,25H,5,20H2,1-3H3,(H,21,24)
InChIKeyBGTJSSDOCFJIJY-UHFFFAOYSA-N
MW374.29 g/mol
LogP1.79
Rot. Bonds4

About 3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 166628448) has the molecular formula C13H16F6N4O2 and a molecular weight of 374.29 g/mol. Its IUPAC name is 3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID166628448
Molecular FormulaC13H16F6N4O2
Molecular Weight374.29 g/mol
Exact Mass374.12
IUPAC Name3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN(C)c1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C13H16F6N4O2/c1-11(25,13(17,18)19)5-21-10(24)8-7(20)4-6(12(14,15)16)9(22-8)23(2)3/h4,25H,5,20H2,1-3H3,(H,21,24)
InChIKeyBGTJSSDOCFJIJY-UHFFFAOYSA-N
XLogP1.79
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 166628448) is 3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is CN(C)c1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F.
What is the InChIKey of 3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BGTJSSDOCFJIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F6N4O2/c1-11(25,13(17,18)19)5-21-10(24)8-7(20)4-6(12(14,15)16)9(22-8)23(2)3/h4,25H,5,20H2,1-3H3,(H,21,24).
What are the key properties of 3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 374.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(dimethylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166628448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).