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

C17H13F9N4O2 — CID 58442348

IUPAC3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)c(N)cc2C(F)(F)F)cn1
InChIInChI=1S/C17H13F9N4O2/c1-7-2-3-8(5-28-7)11-9(15(18,19)20)4-10(27)12(30-11)13(31)29-6-14(32,16(21,22)23)17(24,25)26/h2-5,32H,6,27H2,1H3,(H,29,31)
InChIKeyDVQZSLMAWBIAIJ-UHFFFAOYSA-N
MW476.30 g/mol
LogP3.64
Rot. Bonds4

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

3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 58442348) has the molecular formula C17H13F9N4O2 and a molecular weight of 476.30 g/mol. Its IUPAC name is 3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID58442348
Molecular FormulaC17H13F9N4O2
Molecular Weight476.30 g/mol
Exact Mass476.09
IUPAC Name3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)c(N)cc2C(F)(F)F)cn1
InChIInChI=1S/C17H13F9N4O2/c1-7-2-3-8(5-28-7)11-9(15(18,19)20)4-10(27)12(30-11)13(31)29-6-14(32,16(21,22)23)17(24,25)26/h2-5,32H,6,27H2,1H3,(H,29,31)
InChIKeyDVQZSLMAWBIAIJ-UHFFFAOYSA-N
XLogP3.64
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.30
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 58442348) is 3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(-c2nc(C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)c(N)cc2C(F)(F)F)cn1.
What is the InChIKey of 3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DVQZSLMAWBIAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F9N4O2/c1-7-2-3-8(5-28-7)11-9(15(18,19)20)4-10(27)12(30-11)13(31)29-6-14(32,16(21,22)23)17(24,25)26/h2-5,32H,6,27H2,1H3,(H,29,31).
What are the key properties of 3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 476.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(6-methyl-3-pyridinyl)-N-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 58442348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).