3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C12H13F6N3O3 — CID 166635566

IUPAC3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NC[14C](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/i10+2
InChIKeyUSHQRIKZLHNPQR-HRVHXUPCSA-N
MW363.23 g/mol
LogP1.73
Rot. Bonds4

About 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 166635566) has the molecular formula C12H13F6N3O3 and a molecular weight of 363.23 g/mol. Its IUPAC name is 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID166635566
Molecular FormulaC12H13F6N3O3
Molecular Weight363.23 g/mol
Exact Mass363.09
IUPAC Name3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NC[14C](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/i10+2
InChIKeyUSHQRIKZLHNPQR-HRVHXUPCSA-N
XLogP1.73
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 166635566) is 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide is COc1nc(C(=O)NC[14C](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F.
What is the InChIKey of 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is USHQRIKZLHNPQR-HRVHXUPCSA-N. The full InChI is InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/i10+2.
What are the key properties of 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 363.23 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methoxy-N-(3,3,3-trifluoro-2-hydroxy-2-methyl(214C)propyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166635566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).