2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide

C14H20F3N3O4S — CID 175958010

IUPAC2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide
SMILESCc1ncc(OC[C@H](C)NS(=O)(=O)C(F)(F)F)cc1C(=O)NC(C)C
InChIInChI=1S/C14H20F3N3O4S/c1-8(2)19-13(21)12-5-11(6-18-10(12)4)24-7-9(3)20-25(22,23)14(15,16)17/h5-6,8-9,20H,7H2,1-4H3,(H,19,21)/t9-/m0/s1
InChIKeyHYAAVRLFIQGUTF-VIFPVBQESA-N
MW383.39 g/mol
LogP1.73
Rot. Bonds7

About 2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide

2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide (PubChem CID 175958010) has the molecular formula C14H20F3N3O4S and a molecular weight of 383.39 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide
PubChem CID175958010
Molecular FormulaC14H20F3N3O4S
Molecular Weight383.39 g/mol
Exact Mass383.11
IUPAC Name2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide
SMILESCc1ncc(OC[C@H](C)NS(=O)(=O)C(F)(F)F)cc1C(=O)NC(C)C
InChIInChI=1S/C14H20F3N3O4S/c1-8(2)19-13(21)12-5-11(6-18-10(12)4)24-7-9(3)20-25(22,23)14(15,16)17/h5-6,8-9,20H,7H2,1-4H3,(H,19,21)/t9-/m0/s1
InChIKeyHYAAVRLFIQGUTF-VIFPVBQESA-N
XLogP1.73
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide (CID 175958010) is 2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide is Cc1ncc(OC[C@H](C)NS(=O)(=O)C(F)(F)F)cc1C(=O)NC(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide?
The InChIKey is HYAAVRLFIQGUTF-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20F3N3O4S/c1-8(2)19-13(21)12-5-11(6-18-10(12)4)24-7-9(3)20-25(22,23)14(15,16)17/h5-6,8-9,20H,7H2,1-4H3,(H,19,21)/t9-/m0/s1.
What are the key properties of 2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide?
2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide has a molecular weight of 383.39 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-5-[(2S)-2-(trifluoromethylsulfonylamino)propoxy]pyridine-3-carboxamide is sourced from PubChem (CID 175958010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).