3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C12H10F9N3O3 — CID 53472231

IUPAC3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C12H10F9N3O3/c1-27-8-4(10(13,14)15)2-5(22)6(24-8)7(25)23-3-9(26,11(16,17)18)12(19,20)21/h2,26H,3,22H2,1H3,(H,23,25)
InChIKeyIGGKDUGORVNOGN-UHFFFAOYSA-N
MW415.21 g/mol
LogP2.28
Rot. Bonds4

About 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 53472231) has the molecular formula C12H10F9N3O3 and a molecular weight of 415.21 g/mol. Its IUPAC name is 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID53472231
Molecular FormulaC12H10F9N3O3
Molecular Weight415.21 g/mol
Exact Mass415.06
IUPAC Name3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)c(N)cc1C(F)(F)F
InChIInChI=1S/C12H10F9N3O3/c1-27-8-4(10(13,14)15)2-5(22)6(24-8)7(25)23-3-9(26,11(16,17)18)12(19,20)21/h2,26H,3,22H2,1H3,(H,23,25)
InChIKeyIGGKDUGORVNOGN-UHFFFAOYSA-N
XLogP2.28
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.21
LogP ≤ 52.28
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-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 53472231) is 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide is COc1nc(C(=O)NCC(O)(C(F)(F)F)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-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is IGGKDUGORVNOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F9N3O3/c1-27-8-4(10(13,14)15)2-5(22)6(24-8)7(25)23-3-9(26,11(16,17)18)12(19,20)21/h2,26H,3,22H2,1H3,(H,23,25).
What are the key properties of 3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-methoxy-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 415.21 g/mol, XLogP of 2.28, 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-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 53472231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).