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

C12H14F6N4O2 — CID 166626389

IUPAC3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C12H14F6N4O2/c1-10(24,12(16,17)18)4-21-9(23)7-6(19)3-5(11(13,14)15)8(20-2)22-7/h3,24H,4,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyTYIPCBAOWKGHCK-UHFFFAOYSA-N
MW360.26 g/mol
LogP1.77
Rot. Bonds4

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

3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 166626389) has the molecular formula C12H14F6N4O2 and a molecular weight of 360.26 g/mol. Its IUPAC name is 3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID166626389
Molecular FormulaC12H14F6N4O2
Molecular Weight360.26 g/mol
Exact Mass360.10
IUPAC Name3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCNc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C12H14F6N4O2/c1-10(24,12(16,17)18)4-21-9(23)7-6(19)3-5(11(13,14)15)8(20-2)22-7/h3,24H,4,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyTYIPCBAOWKGHCK-UHFFFAOYSA-N
XLogP1.77
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 166626389) is 3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is CNc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F.
What is the InChIKey of 3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is TYIPCBAOWKGHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N4O2/c1-10(24,12(16,17)18)4-21-9(23)7-6(19)3-5(11(13,14)15)8(20-2)22-7/h3,24H,4,19H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 360.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(methylamino)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166626389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).