5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C18H24F3N3O3 — CID 90203953

IUPAC5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(C)(C)C
InChIInChI=1S/C18H24F3N3O3/c1-17(2,3)14(16(26)22-4)24-15(25)12-7-13(27-9-18(19,20)21)11(8-23-12)10-5-6-10/h7-8,10,14H,5-6,9H2,1-4H3,(H,22,26)(H,24,25)
InChIKeyYWZGEGZSNRFLOJ-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.79
Rot. Bonds6

About 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 90203953) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID90203953
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC Name5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(C)(C)C
InChIInChI=1S/C18H24F3N3O3/c1-17(2,3)14(16(26)22-4)24-15(25)12-7-13(27-9-18(19,20)21)11(8-23-12)10-5-6-10/h7-8,10,14H,5-6,9H2,1-4H3,(H,22,26)(H,24,25)
InChIKeyYWZGEGZSNRFLOJ-UHFFFAOYSA-N
XLogP2.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 90203953) is 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is CNC(=O)C(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)C(C)(C)C.
What is the InChIKey of 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is YWZGEGZSNRFLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c1-17(2,3)14(16(26)22-4)24-15(25)12-7-13(27-9-18(19,20)21)11(8-23-12)10-5-6-10/h7-8,10,14H,5-6,9H2,1-4H3,(H,22,26)(H,24,25).
What are the key properties of 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 90203953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).