N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C21H21F3N4O3S — CID 90012342

IUPACN-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)C2CCN(CC(F)(F)F)CC2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C21H21F3N4O3S/c22-21(23,24)13-28-7-4-16(5-8-28)32(30)17-2-1-15(26-11-17)10-27-20(29)18-9-14-3-6-25-12-19(14)31-18/h1-3,6,9,11-12,16H,4-5,7-8,10,13H2,(H,27,29)
InChIKeyNHZHEIJITKXLNR-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.29
Rot. Bonds6

About N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 90012342) has the molecular formula C21H21F3N4O3S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID90012342
Molecular FormulaC21H21F3N4O3S
Molecular Weight466.49 g/mol
Exact Mass466.13
IUPAC NameN-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)C2CCN(CC(F)(F)F)CC2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C21H21F3N4O3S/c22-21(23,24)13-28-7-4-16(5-8-28)32(30)17-2-1-15(26-11-17)10-27-20(29)18-9-14-3-6-25-12-19(14)31-18/h1-3,6,9,11-12,16H,4-5,7-8,10,13H2,(H,27,29)
InChIKeyNHZHEIJITKXLNR-UHFFFAOYSA-N
XLogP3.29
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 90012342) is N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)C2CCN(CC(F)(F)F)CC2)cn1)c1cc2ccncc2o1.
What is the InChIKey of N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is NHZHEIJITKXLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3S/c22-21(23,24)13-28-7-4-16(5-8-28)32(30)17-2-1-15(26-11-17)10-27-20(29)18-9-14-3-6-25-12-19(14)31-18/h1-3,6,9,11-12,16H,4-5,7-8,10,13H2,(H,27,29).
What are the key properties of N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 90012342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).