2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C19H20F5N5O4S — CID 146525953

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 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (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 Name2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
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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Related Compounds

2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethoxy)pyridine-3-carboxamide
CID 146525665
US11377438, Example 171
CID 146525686
US11377438, Example 182
CID 146525763
US11377438, Example 20
CID 146525843
US11377438, Example 142
CID 146525882
US11377438, Example 159
CID 146525709
US11377438, Example 98
CID 146525769
US11377438, Example 97
CID 146525933
N-(6-aminopyridin-2-yl)sulfonyl-6-(6-propan-2-yloxypyridin-3-yl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250496
N-[6-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]pyridin-2-yl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250535
N-(6-aminopyridin-2-yl)sulfonyl-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxypyridin-3-yl)pyridine-3-carboxamide
CID 121250573
N-(6-aminopyridin-2-yl)sulfonyl-6-(6-propan-2-yloxypyridin-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 121250894

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (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 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cc1nc(N2CCC(F)(F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)cc1OCC(F)(F)F.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
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 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide 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 2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)-5-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 146525953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).