5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide

C18H20F3N5O3S — CID 147818169

IUPAC5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1cnc(N2CCC(C(F)(F)F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C18H20F3N5O3S/c1-11-8-14(17(27)25-13-2-5-23-15(9-13)30(22,28)29)16(24-10-11)26-6-3-12(4-7-26)18(19,20)21/h2,5,8-10,12H,3-4,6-7H2,1H3,(H2,22,28,29)(H,23,25,27)
InChIKeyHOSGCCQDOUWSAT-UHFFFAOYSA-N
MW443.45 g/mol
LogP2.46
Rot. Bonds4

About 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide

5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 147818169) has the molecular formula C18H20F3N5O3S and a molecular weight of 443.45 g/mol. Its IUPAC name is 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID147818169
Molecular FormulaC18H20F3N5O3S
Molecular Weight443.45 g/mol
Exact Mass443.12
IUPAC Name5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESCc1cnc(N2CCC(C(F)(F)F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C18H20F3N5O3S/c1-11-8-14(17(27)25-13-2-5-23-15(9-13)30(22,28)29)16(24-10-11)26-6-3-12(4-7-26)18(19,20)21/h2,5,8-10,12H,3-4,6-7H2,1H3,(H2,22,28,29)(H,23,25,27)
InChIKeyHOSGCCQDOUWSAT-UHFFFAOYSA-N
XLogP2.46
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide (CID 147818169) is 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide is Cc1cnc(N2CCC(C(F)(F)F)CC2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is HOSGCCQDOUWSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O3S/c1-11-8-14(17(27)25-13-2-5-23-15(9-13)30(22,28)29)16(24-10-11)26-6-3-12(4-7-26)18(19,20)21/h2,5,8-10,12H,3-4,6-7H2,1H3,(H2,22,28,29)(H,23,25,27).
What are the key properties of 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 147818169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).