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

C13H15F6N3O2 — CID 166626029

IUPAC3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C13H15F6N3O2/c1-3-8-6(12(14,15)16)4-7(20)9(22-8)10(23)21-5-11(2,24)13(17,18)19/h4,24H,3,5,20H2,1-2H3,(H,21,23)
InChIKeyMGUIUBDNWFFWTR-UHFFFAOYSA-N
MW359.27 g/mol
LogP2.29
Rot. Bonds4

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

3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 166626029) has the molecular formula C13H15F6N3O2 and a molecular weight of 359.27 g/mol. Its IUPAC name is 3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID166626029
Molecular FormulaC13H15F6N3O2
Molecular Weight359.27 g/mol
Exact Mass359.11
IUPAC Name3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C13H15F6N3O2/c1-3-8-6(12(14,15)16)4-7(20)9(22-8)10(23)21-5-11(2,24)13(17,18)19/h4,24H,3,5,20H2,1-2H3,(H,21,23)
InChIKeyMGUIUBDNWFFWTR-UHFFFAOYSA-N
XLogP2.29
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 166626029) is 3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is CCc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F.
What is the InChIKey of 3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is MGUIUBDNWFFWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6N3O2/c1-3-8-6(12(14,15)16)4-7(20)9(22-8)10(23)21-5-11(2,24)13(17,18)19/h4,24H,3,5,20H2,1-2H3,(H,21,23).
What are the key properties of 3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 359.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166626029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).