N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide

C21H28N4O3S — CID 25336498

IUPACN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccn1
InChIInChI=1S/C21H28N4O3S/c1-3-24(4-2)20-12-11-17(29(27,28)25-14-8-5-9-15-25)16-19(20)23-21(26)18-10-6-7-13-22-18/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,23,26)
InChIKeyXYQZBFAACFCDSV-UHFFFAOYSA-N
MW416.55 g/mol
LogP3.35
Rot. Bonds7

About N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide

N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide (PubChem CID 25336498) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide
PubChem CID25336498
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC NameN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccn1
InChIInChI=1S/C21H28N4O3S/c1-3-24(4-2)20-12-11-17(29(27,28)25-14-8-5-9-15-25)16-19(20)23-21(26)18-10-6-7-13-22-18/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,23,26)
InChIKeyXYQZBFAACFCDSV-UHFFFAOYSA-N
XLogP3.35
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 26880756
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3547247
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581645
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide
CID 55876228
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33297886
2-[2-(diethylamino)-5-piperidin-1-ylsulfonylanilino]-N-ethylacetamide
CID 17393393
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30037448
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 29251421
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 30748290
4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide
CID 55666676
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide
CID 55476539

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide (CID 25336498) is N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide is CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccn1.
What is the InChIKey of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide?
The InChIKey is XYQZBFAACFCDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-3-24(4-2)20-12-11-17(29(27,28)25-14-8-5-9-15-25)16-19(20)23-21(26)18-10-6-7-13-22-18/h6-7,10-13,16H,3-5,8-9,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide?
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide has a molecular weight of 416.55 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 25336498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).