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YFNZQWIAEYNWHO-UHFFFAOYSA-N

C19H20F5N5O4S — CID 146525953

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1nc(N2CCC(F)(F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1OCC(F)(F)F
InChIInChI=1S/C19H20F5N5O4S/c1-11-14(33-10-19(22,23)24)9-13(16(27-11)29-6-3-18(20,21)4-7-29)17(30)28-12-2-5-26-15(8-12)34(25,31)32/h2,5,8-9H,3-4,6-7,10H2,1H3,(H2,25,31,32)(H,26,28,30)
InChIKeyYFNZQWIAEYNWHO-UHFFFAOYSA-N
MW509.46 g/mol
LogP2.86
Rot. Bonds6

About YFNZQWIAEYNWHO-UHFFFAOYSA-N

YFNZQWIAEYNWHO-UHFFFAOYSA-N (PubChem CID 146525953) has the molecular formula C19H20F5N5O4S and a molecular weight of 509.46 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameYFNZQWIAEYNWHO-UHFFFAOYSA-N
PubChem CID146525953
Molecular FormulaC19H20F5N5O4S
Molecular Weight509.46 g/mol
Exact Mass509.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1nc(N2CCC(F)(F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1OCC(F)(F)F
InChIInChI=1S/C19H20F5N5O4S/c1-11-14(33-10-19(22,23)24)9-13(16(27-11)29-6-3-18(20,21)4-7-29)17(30)28-12-2-5-26-15(8-12)34(25,31)32/h2,5,8-9H,3-4,6-7,10H2,1H3,(H2,25,31,32)(H,26,28,30)
InChIKeyYFNZQWIAEYNWHO-UHFFFAOYSA-N
XLogP2.86
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of YFNZQWIAEYNWHO-UHFFFAOYSA-N?
The IUPAC name of YFNZQWIAEYNWHO-UHFFFAOYSA-N (CID 146525953) is 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for YFNZQWIAEYNWHO-UHFFFAOYSA-N?
The canonical SMILES for YFNZQWIAEYNWHO-UHFFFAOYSA-N is Cc1nc(N2CCC(F)(F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1OCC(F)(F)F.
What is the InChIKey of YFNZQWIAEYNWHO-UHFFFAOYSA-N?
The InChIKey is YFNZQWIAEYNWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F5N5O4S/c1-11-14(33-10-19(22,23)24)9-13(16(27-11)29-6-3-18(20,21)4-7-29)17(30)28-12-2-5-26-15(8-12)34(25,31)32/h2,5,8-9H,3-4,6-7,10H2,1H3,(H2,25,31,32)(H,26,28,30).
What are the key properties of YFNZQWIAEYNWHO-UHFFFAOYSA-N?
YFNZQWIAEYNWHO-UHFFFAOYSA-N has a molecular weight of 509.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for YFNZQWIAEYNWHO-UHFFFAOYSA-N is sourced from PubChem (CID 146525953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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