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

C22H21F2N5O3S — CID 146525811

IUPAC2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccc3)cnc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C22H21F2N5O3S/c23-22(24)7-10-29(11-8-22)20-18(12-16(14-27-20)15-4-2-1-3-5-15)21(30)28-17-6-9-26-19(13-17)33(25,31)32/h1-6,9,12-14H,7-8,10-11H2,(H2,25,31,32)(H,26,28,30)
InChIKeyCBBMOUIYEOTGGF-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.28
Rot. Bonds5

About 2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide

2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525811) has the molecular formula C22H21F2N5O3S and a molecular weight of 473.51 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
PubChem CID146525811
Molecular FormulaC22H21F2N5O3S
Molecular Weight473.51 g/mol
Exact Mass473.13
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccc3)cnc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C22H21F2N5O3S/c23-22(24)7-10-29(11-8-22)20-18(12-16(14-27-20)15-4-2-1-3-5-15)21(30)28-17-6-9-26-19(13-17)33(25,31)32/h1-6,9,12-14H,7-8,10-11H2,(H2,25,31,32)(H,26,28,30)
InChIKeyCBBMOUIYEOTGGF-UHFFFAOYSA-N
XLogP3.28
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525835
2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525892
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525929
6-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146526013
4-({4-[3-(Piperidin-1-Ylcarbonyl)phenyl]pyrimidin-2-Yl}amino)benzenesulfonamide
CID 60210977
6-[(5-Fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 155546008
N-cyclopropyl-1-(3-(6-(methylsulfonyl)pyridin-3-yl)phenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10183035
2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide
CID 10275824
N-(2-aminophenyl)-6-(3,3-dimethyl-4-(phenylsulfonyl)piperazin-1-yl)nicotinamide
CID 16662808
N-(5-Chloro-pyridin-2-yl)-4-[(2''-sulfamoyl-biphenyl-4-carbonyl)-amino]-nicotinamide
CID 18728158
5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525693
5-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525741

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide (CID 146525811) is 2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccc3)cnc2N2CCC(F)(F)CC2)ccn1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
The InChIKey is CBBMOUIYEOTGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O3S/c23-22(24)7-10-29(11-8-22)20-18(12-16(14-27-20)15-4-2-1-3-5-15)21(30)28-17-6-9-26-19(13-17)33(25,31)32/h1-6,9,12-14H,7-8,10-11H2,(H2,25,31,32)(H,26,28,30).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide?
2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-5-phenyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).