3-amino-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C16H21F6N3O4 — CID 89448088

IUPAC3-amino-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCc1c(N)c(C(=O)NCC(C)(O)C(F)(F)F)nc(OCCOC)c1C(F)(F)F
InChIInChI=1S/C16H21F6N3O4/c1-4-8-9(15(17,18)19)13(29-6-5-28-3)25-11(10(8)23)12(26)24-7-14(2,27)16(20,21)22/h27H,4-7,23H2,1-3H3,(H,24,26)
InChIKeyGJKOMPLZEGVQKX-UHFFFAOYSA-N
MW433.35 g/mol
LogP2.31
Rot. Bonds8

About 3-amino-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 89448088) has the molecular formula C16H21F6N3O4 and a molecular weight of 433.35 g/mol. Its IUPAC name is 3-amino-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID89448088
Molecular FormulaC16H21F6N3O4
Molecular Weight433.35 g/mol
Exact Mass433.14
IUPAC Name3-amino-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCc1c(N)c(C(=O)NCC(C)(O)C(F)(F)F)nc(OCCOC)c1C(F)(F)F
InChIInChI=1S/C16H21F6N3O4/c1-4-8-9(15(17,18)19)13(29-6-5-28-3)25-11(10(8)23)12(26)24-7-14(2,27)16(20,21)22/h27H,4-7,23H2,1-3H3,(H,24,26)
InChIKeyGJKOMPLZEGVQKX-UHFFFAOYSA-N
XLogP2.31
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 52.31
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-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 89448088) is 3-amino-4-ethyl-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-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is CCc1c(N)c(C(=O)NCC(C)(O)C(F)(F)F)nc(OCCOC)c1C(F)(F)F.
What is the InChIKey of 3-amino-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is GJKOMPLZEGVQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F6N3O4/c1-4-8-9(15(17,18)19)13(29-6-5-28-3)25-11(10(8)23)12(26)24-7-14(2,27)16(20,21)22/h27H,4-7,23H2,1-3H3,(H,24,26).
What are the key properties of 3-amino-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 433.35 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-6-(2-methoxyethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 89448088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).