5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide

C20H13F3N4O3S — CID 58097425

IUPAC5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
SMILESCc1c(S(=O)c2ccc(C#N)cc2)cc(C(N)=O)c(=O)n1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H13F3N4O3S/c1-11-16(31(30)14-4-2-12(10-24)3-5-14)9-15(18(25)28)19(29)27(11)13-6-7-26-17(8-13)20(21,22)23/h2-9H,1H3,(H2,25,28)
InChIKeyPOJDVQDIJHZHJS-UHFFFAOYSA-N
MW446.41 g/mol
LogP2.70
Rot. Bonds4

About 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide

5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide (PubChem CID 58097425) has the molecular formula C20H13F3N4O3S and a molecular weight of 446.41 g/mol. Its IUPAC name is 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
PubChem CID58097425
Molecular FormulaC20H13F3N4O3S
Molecular Weight446.41 g/mol
Exact Mass446.07
IUPAC Name5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide
SMILESCc1c(S(=O)c2ccc(C#N)cc2)cc(C(N)=O)c(=O)n1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C20H13F3N4O3S/c1-11-16(31(30)14-4-2-12(10-24)3-5-14)9-15(18(25)28)19(29)27(11)13-6-7-26-17(8-13)20(21,22)23/h2-9H,1H3,(H2,25,28)
InChIKeyPOJDVQDIJHZHJS-UHFFFAOYSA-N
XLogP2.70
TPSA118.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-pyridin-3-yl-N-[4-[4-(trifluoromethyl)phenyl]sulfonylphenyl]prop-2-enamide
CID 70978534
5-(6-cyanopyridin-3-yl)sulfonyl-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11847720
6-methyl-5-methylsulfinyl-N-[(5-methylsulfonylpyridin-2-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11847744
5-(4-cyanophenyl)sulfinyl-1-(3,5-difluorophenyl)-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-6-methyl-2-oxopyridine-3-carboxamide
CID 11847780
6-methyl-5-methylsulfonyl-N-[(5-methylsulfonylpyridin-2-yl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11847999
5-[(5-Cyanopyridin-2-yl)sulfinyl]-n,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
CID 11848062
5-(5-cyanopyridin-2-yl)sulfinyl-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 11848089
5-[(6-Cyanopyridin-3-yl)sulfinyl]-N,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
CID 11848092
6-methyl-2-oxo-N-[(4-pyridin-4-ylsulfonylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 17966882
6-methyl-2-oxo-N-[[4-(pyridin-4-ylmethylsulfonyl)phenyl]methyl]-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 17966939
6-Methyl-N-[4-(methylsulfonyl)benzyl]-2-oxo-5-(pyrazin-2-yl)-1-[3-(trifluoro-methyl)phenyl]-1,2-dihydropyridine-3-carboxamide
CID 66725437
6-Methyl-N-[4-(methylsulfonyl)benzyl]-2-oxo-5-(2-pyridin-3-ylethyl)-1-[3-(trifluoromethyl)phenyl]-1,2-dihydropyridine-3-carboxamide
CID 68884236

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide (CID 58097425) is 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide is Cc1c(S(=O)c2ccc(C#N)cc2)cc(C(N)=O)c(=O)n1-c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide?
The InChIKey is POJDVQDIJHZHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O3S/c1-11-16(31(30)14-4-2-12(10-24)3-5-14)9-15(18(25)28)19(29)27(11)13-6-7-26-17(8-13)20(21,22)23/h2-9H,1H3,(H2,25,28).
What are the key properties of 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide?
5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide has a molecular weight of 446.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)sulfinyl-6-methyl-2-oxo-1-[2-(trifluoromethyl)-4-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 58097425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).