N-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C20H13F2N3O3S — CID 134133237

IUPACN-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc([S@@](=O)c2cc(F)cc(F)c2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C20H13F2N3O3S/c21-13-6-14(22)8-17(7-13)29(27)16-2-1-15(24-10-16)9-25-20(26)18-5-12-3-4-23-11-19(12)28-18/h1-8,10-11H,9H2,(H,25,26)/t29-/m1/s1
InChIKeyYKTUZLHYXSJRBO-GDLZYMKVSA-N
MW413.41 g/mol
LogP3.60
Rot. Bonds5

About N-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 134133237) has the molecular formula C20H13F2N3O3S and a molecular weight of 413.41 g/mol. Its IUPAC name is N-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID134133237
Molecular FormulaC20H13F2N3O3S
Molecular Weight413.41 g/mol
Exact Mass413.06
IUPAC NameN-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc([S@@](=O)c2cc(F)cc(F)c2)cn1)c1cc2ccncc2o1
InChIInChI=1S/C20H13F2N3O3S/c21-13-6-14(22)8-17(7-13)29(27)16-2-1-15(24-10-16)9-25-20(26)18-5-12-3-4-23-11-19(12)28-18/h1-8,10-11H,9H2,(H,25,26)/t29-/m1/s1
InChIKeyYKTUZLHYXSJRBO-GDLZYMKVSA-N
XLogP3.60
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 134133237) is N-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCc1ccc([S@@](=O)c2cc(F)cc(F)c2)cn1)c1cc2ccncc2o1.
What is the InChIKey of N-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is YKTUZLHYXSJRBO-GDLZYMKVSA-N. The full InChI is InChI=1S/C20H13F2N3O3S/c21-13-6-14(22)8-17(7-13)29(27)16-2-1-15(24-10-16)9-25-20(26)18-5-12-3-4-23-11-19(12)28-18/h1-8,10-11H,9H2,(H,25,26)/t29-/m1/s1.
What are the key properties of N-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 413.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(S)-(3,5-difluorophenyl)sulfinyl]-2-pyridinyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 134133237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).