N-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

C17H20F3N3O4S — CID 90214905

IUPACN-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESC[C@H](Oc1cc(C(=O)NC(C)(C#N)CS(C)(=O)=O)ncc1C1CC1)C(F)(F)F
InChIInChI=1S/C17H20F3N3O4S/c1-10(17(18,19)20)27-14-6-13(22-7-12(14)11-4-5-11)15(24)23-16(2,8-21)9-28(3,25)26/h6-7,10-11H,4-5,9H2,1-3H3,(H,23,24)/t10-,16?/m0/s1
InChIKeyOPQLROBRFOLFOC-VQVVDHBBSA-N
MW419.43 g/mol
LogP2.35
Rot. Bonds7

About N-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide

N-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (PubChem CID 90214905) has the molecular formula C17H20F3N3O4S and a molecular weight of 419.43 g/mol. Its IUPAC name is N-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
PubChem CID90214905
Molecular FormulaC17H20F3N3O4S
Molecular Weight419.43 g/mol
Exact Mass419.11
IUPAC NameN-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
SMILESC[C@H](Oc1cc(C(=O)NC(C)(C#N)CS(C)(=O)=O)ncc1C1CC1)C(F)(F)F
InChIInChI=1S/C17H20F3N3O4S/c1-10(17(18,19)20)27-14-6-13(22-7-12(14)11-4-5-11)15(24)23-16(2,8-21)9-28(3,25)26/h6-7,10-11H,4-5,9H2,1-3H3,(H,23,24)/t10-,16?/m0/s1
InChIKeyOPQLROBRFOLFOC-VQVVDHBBSA-N
XLogP2.35
TPSA109.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide (CID 90214905) is N-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is C[C@H](Oc1cc(C(=O)NC(C)(C#N)CS(C)(=O)=O)ncc1C1CC1)C(F)(F)F.
What is the InChIKey of N-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
The InChIKey is OPQLROBRFOLFOC-VQVVDHBBSA-N. The full InChI is InChI=1S/C17H20F3N3O4S/c1-10(17(18,19)20)27-14-6-13(22-7-12(14)11-4-5-11)15(24)23-16(2,8-21)9-28(3,25)26/h6-7,10-11H,4-5,9H2,1-3H3,(H,23,24)/t10-,16?/m0/s1.
What are the key properties of N-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide?
N-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-methylsulfonylpropan-2-yl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 90214905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).