1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide

C20H25ClN4O3S — CID 50842397

IUPAC1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ncccc2NS(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C20H25ClN4O3S/c1-2-10-23-20(26)15-6-5-12-25(14-15)19-18(9-4-11-22-19)24-29(27,28)17-8-3-7-16(21)13-17/h3-4,7-9,11,13,15,24H,2,5-6,10,12,14H2,1H3,(H,23,26)
InChIKeySPNFNLISLIGAQA-UHFFFAOYSA-N
MW436.97 g/mol
LogP3.28
Rot. Bonds7

About 1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide

1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide (PubChem CID 50842397) has the molecular formula C20H25ClN4O3S and a molecular weight of 436.97 g/mol. Its IUPAC name is 1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide
PubChem CID50842397
Molecular FormulaC20H25ClN4O3S
Molecular Weight436.97 g/mol
Exact Mass436.13
IUPAC Name1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ncccc2NS(=O)(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C20H25ClN4O3S/c1-2-10-23-20(26)15-6-5-12-25(14-15)19-18(9-4-11-22-19)24-29(27,28)17-8-3-7-16(21)13-17/h3-4,7-9,11,13,15,24H,2,5-6,10,12,14H2,1H3,(H,23,26)
InChIKeySPNFNLISLIGAQA-UHFFFAOYSA-N
XLogP3.28
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-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

1-[3-[(4-fluoro-3-methylphenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide
CID 50842371
N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide
CID 50842301
1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide
CID 133286024
(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050441
(3R)-N-butyl-1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069769
(3S)-N-butyl-1-[1-(3-chlorophenyl)-6-oxopyridazin-3-yl]piperidine-3-carboxamide
CID 95069770
(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050474
N-[(3-chlorophenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392276
(3S)-N-butyl-1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 95073730
(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050366
N-[(3-chlorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 46392324
1-[4-(difluoromethylsulfonyl)phenyl]-N-propylpiperidine-3-carboxamide
CID 49431230

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide (CID 50842397) is 1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(c2ncccc2NS(=O)(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is SPNFNLISLIGAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3S/c1-2-10-23-20(26)15-6-5-12-25(14-15)19-18(9-4-11-22-19)24-29(27,28)17-8-3-7-16(21)13-17/h3-4,7-9,11,13,15,24H,2,5-6,10,12,14H2,1H3,(H,23,26).
What are the key properties of 1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide?
1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 436.97 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chlorophenyl)sulfonylamino]-2-pyridinyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 50842397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).