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

C14H17F6N3O4 — CID 78089503

IUPAC3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCCOc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C14H17F6N3O4/c1-12(25,14(18,19)20)6-22-10(24)9-8(21)5-7(13(15,16)17)11(23-9)27-4-3-26-2/h5,25H,3-4,6,21H2,1-2H3,(H,22,24)
InChIKeyLRRVHVSUJZQJLB-UHFFFAOYSA-N
MW405.30 g/mol
LogP1.75
Rot. Bonds7

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

3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 78089503) has the molecular formula C14H17F6N3O4 and a molecular weight of 405.30 g/mol. Its IUPAC name is 3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID78089503
Molecular FormulaC14H17F6N3O4
Molecular Weight405.30 g/mol
Exact Mass405.11
IUPAC Name3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCCOc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C14H17F6N3O4/c1-12(25,14(18,19)20)6-22-10(24)9-8(21)5-7(13(15,16)17)11(23-9)27-4-3-26-2/h5,25H,3-4,6,21H2,1-2H3,(H,22,24)
InChIKeyLRRVHVSUJZQJLB-UHFFFAOYSA-N
XLogP1.75
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 78089503) is 3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is COCCOc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(F)(F)F.
What is the InChIKey of 3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LRRVHVSUJZQJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F6N3O4/c1-12(25,14(18,19)20)6-22-10(24)9-8(21)5-7(13(15,16)17)11(23-9)27-4-3-26-2/h5,25H,3-4,6,21H2,1-2H3,(H,22,24).
What are the key properties of 3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 405.30 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 78089503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).