5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide

C19H26F3N3O3 — CID 90204511

IUPAC5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1cc(O[C@@](C)(F)C(F)F)c(C2CC2)cn1)C(C)(C)C
InChIInChI=1S/C19H26F3N3O3/c1-18(2,3)14(16(27)23-5)25-15(26)12-8-13(28-19(4,22)17(20)21)11(9-24-12)10-6-7-10/h8-10,14,17H,6-7H2,1-5H3,(H,23,27)(H,25,26)/t14?,19-/m1/s1
InChIKeyRUDOPIZKFXBZEN-JANGERMGSA-N
MW401.43 g/mol
LogP3.18
Rot. Bonds7

About 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide

5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 90204511) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide
PubChem CID90204511
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC Name5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1cc(O[C@@](C)(F)C(F)F)c(C2CC2)cn1)C(C)(C)C
InChIInChI=1S/C19H26F3N3O3/c1-18(2,3)14(16(27)23-5)25-15(26)12-8-13(28-19(4,22)17(20)21)11(9-24-12)10-6-7-10/h8-10,14,17H,6-7H2,1-5H3,(H,23,27)(H,25,26)/t14?,19-/m1/s1
InChIKeyRUDOPIZKFXBZEN-JANGERMGSA-N
XLogP3.18
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.18
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-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide (CID 90204511) is 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide is CNC(=O)C(NC(=O)c1cc(O[C@@](C)(F)C(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-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is RUDOPIZKFXBZEN-JANGERMGSA-N. The full InChI is InChI=1S/C19H26F3N3O3/c1-18(2,3)14(16(27)23-5)25-15(26)12-8-13(28-19(4,22)17(20)21)11(9-24-12)10-6-7-10/h8-10,14,17H,6-7H2,1-5H3,(H,23,27)(H,25,26)/t14?,19-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.18, 7 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-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 90204511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).