N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide

C17H20F3N3O4S — CID 46942913

IUPACN-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C)(C(=O)NS(=O)(=O)C2CC2)C1
InChIInChI=1S/C17H20F3N3O4S/c1-10-12(5-6-13(21-10)17(18,19)20)14(24)23-8-7-16(2,9-23)15(25)22-28(26,27)11-3-4-11/h5-6,11H,3-4,7-9H2,1-2H3,(H,22,25)
InChIKeyHFPJJURPWIVYRW-UHFFFAOYSA-N
MW419.43 g/mol
LogP1.87
Rot. Bonds4

About N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide

N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 46942913) has the molecular formula C17H20F3N3O4S and a molecular weight of 419.43 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
PubChem CID46942913
Molecular FormulaC17H20F3N3O4S
Molecular Weight419.43 g/mol
Exact Mass419.11
IUPAC NameN-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C)(C(=O)NS(=O)(=O)C2CC2)C1
InChIInChI=1S/C17H20F3N3O4S/c1-10-12(5-6-13(21-10)17(18,19)20)14(24)23-8-7-16(2,9-23)15(25)22-28(26,27)11-3-4-11/h5-6,11H,3-4,7-9H2,1-2H3,(H,22,25)
InChIKeyHFPJJURPWIVYRW-UHFFFAOYSA-N
XLogP1.87
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide (CID 46942913) is N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C)(C(=O)NS(=O)(=O)C2CC2)C1.
What is the InChIKey of N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is HFPJJURPWIVYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O4S/c1-10-12(5-6-13(21-10)17(18,19)20)14(24)23-8-7-16(2,9-23)15(25)22-28(26,27)11-3-4-11/h5-6,11H,3-4,7-9H2,1-2H3,(H,22,25).
What are the key properties of N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide?
N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46942913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).