2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide

C23H29F2N5O3S — CID 169264076

IUPAC2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCC1CN(c2nc3c(cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)C(C)(C)CCC3)CCC1(F)F
InChIInChI=1S/C23H29F2N5O3S/c1-14-13-30(10-8-23(14,24)25)20-16(12-17-18(29-20)5-4-7-22(17,2)3)21(31)28-15-6-9-27-19(11-15)34(26,32)33/h6,9,11-12,14H,4-5,7-8,10,13H2,1-3H3,(H2,26,32,33)(H,27,28,31)
InChIKeyVGZPZJFKFSSCON-UHFFFAOYSA-N
MW493.58 g/mol
LogP3.47
Rot. Bonds4

About 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide

2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 169264076) has the molecular formula C23H29F2N5O3S and a molecular weight of 493.58 g/mol. Its IUPAC name is 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID169264076
Molecular FormulaC23H29F2N5O3S
Molecular Weight493.58 g/mol
Exact Mass493.20
IUPAC Name2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCC1CN(c2nc3c(cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)C(C)(C)CCC3)CCC1(F)F
InChIInChI=1S/C23H29F2N5O3S/c1-14-13-30(10-8-23(14,24)25)20-16(12-17-18(29-20)5-4-7-22(17,2)3)21(31)28-15-6-9-27-19(11-15)34(26,32)33/h6,9,11-12,14H,4-5,7-8,10,13H2,1-3H3,(H2,26,32,33)(H,27,28,31)
InChIKeyVGZPZJFKFSSCON-UHFFFAOYSA-N
XLogP3.47
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 169264214
2-(4,4-difluoro-3-methylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 158871475
2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 167111744
5-chloro-2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146576273
5-chloro-6-cyclobutyl-2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525701
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide;ethane
CID 169124911
2-(4,4-difluoroazepan-1-yl)-5-isocyano-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 153490313
2-(4,4-difluoroazepan-1-yl)-6-fluoro-N-(2-sulfamoyl-4-pyridinyl)quinoline-3-carboxamide
CID 169264512
2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525973
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-methylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide;methanol;methylsulfanylmethane
CID 176694650
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525749
methyl 4-[[2-(4,4-difluoro-3-methylpiperidin-1-yl)-7-fluoroquinoline-3-carbonyl]amino]pyridine-2-carboxylate
CID 169264103

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide (CID 169264076) is 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide is CC1CN(c2nc3c(cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)C(C)(C)CCC3)CCC1(F)F.
What is the InChIKey of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is VGZPZJFKFSSCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N5O3S/c1-14-13-30(10-8-23(14,24)25)20-16(12-17-18(29-20)5-4-7-22(17,2)3)21(31)28-15-6-9-27-19(11-15)34(26,32)33/h6,9,11-12,14H,4-5,7-8,10,13H2,1-3H3,(H2,26,32,33)(H,27,28,31).
What are the key properties of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide?
2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 493.58 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-5,5-dimethyl-N-(2-sulfamoyl-4-pyridinyl)-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 169264076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).