5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C19H22F3N3O2S — CID 71114290

IUPAC5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)(C)C(NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1nccs1
InChIInChI=1S/C19H22F3N3O2S/c1-18(2,3)14(17-23-8-9-28-17)25-15(26)13-7-6-12(11-4-5-11)16(24-13)27-10-19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,25,26)
InChIKeyAPFGBBFAQCAZHR-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.87
Rot. Bonds6

About 5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 71114290) has the molecular formula C19H22F3N3O2S and a molecular weight of 413.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID71114290
Molecular FormulaC19H22F3N3O2S
Molecular Weight413.47 g/mol
Exact Mass413.14
IUPAC Name5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)(C)C(NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1nccs1
InChIInChI=1S/C19H22F3N3O2S/c1-18(2,3)14(17-23-8-9-28-17)25-15(26)13-7-6-12(11-4-5-11)16(24-13)27-10-19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,25,26)
InChIKeyAPFGBBFAQCAZHR-UHFFFAOYSA-N
XLogP4.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 71114290) is 5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is CC(C)(C)C(NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1nccs1.
What is the InChIKey of 5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is APFGBBFAQCAZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2S/c1-18(2,3)14(17-23-8-9-28-17)25-15(26)13-7-6-12(11-4-5-11)16(24-13)27-10-19(20,21)22/h6-9,11,14H,4-5,10H2,1-3H3,(H,25,26).
What are the key properties of 5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71114290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).