5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C21H15F3N4O3S — CID 11848062

IUPAC5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cc(S(=O)c2ccc(C#N)cn2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C21H15F3N4O3S/c1-12-17(32(31)18-7-6-13(10-25)11-27-18)9-16(19(29)26-2)20(30)28(12)15-5-3-4-14(8-15)21(22,23)24/h3-9,11H,1-2H3,(H,26,29)
InChIKeyUGZXRLQQNOKYAV-UHFFFAOYSA-N
MW460.44 g/mol
LogP2.96
Rot. Bonds4

About 5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11848062) has the molecular formula C21H15F3N4O3S and a molecular weight of 460.44 g/mol. Its IUPAC name is 5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID11848062
Molecular FormulaC21H15F3N4O3S
Molecular Weight460.44 g/mol
Exact Mass460.08
IUPAC Name5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cc(S(=O)c2ccc(C#N)cn2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C21H15F3N4O3S/c1-12-17(32(31)18-7-6-13(10-25)11-27-18)9-16(19(29)26-2)20(30)28(12)15-5-3-4-14(8-15)21(22,23)24/h3-9,11H,1-2H3,(H,26,29)
InChIKeyUGZXRLQQNOKYAV-UHFFFAOYSA-N
XLogP2.96
TPSA104.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11848062) is 5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CNC(=O)c1cc(S(=O)c2ccc(C#N)cn2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is UGZXRLQQNOKYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3S/c1-12-17(32(31)18-7-6-13(10-25)11-27-18)9-16(19(29)26-2)20(30)28(12)15-5-3-4-14(8-15)21(22,23)24/h3-9,11H,1-2H3,(H,26,29).
What are the key properties of 5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 460.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyano-2-pyridinyl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11848062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).