1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide

C21H23ClN4O3S — CID 60615480

IUPAC1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)c1cccc(C#N)c1
InChIInChI=1S/C21H23ClN4O3S/c1-15(2)26(18-6-3-5-16(13-18)14-23)21(27)17-8-11-25(12-9-17)30(28,29)19-7-4-10-24-20(19)22/h3-7,10,13,15,17H,8-9,11-12H2,1-2H3
InChIKeySWIQLWCLIVEJOV-UHFFFAOYSA-N
MW446.96 g/mol
LogP3.45
Rot. Bonds5

About 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide

1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 60615480) has the molecular formula C21H23ClN4O3S and a molecular weight of 446.96 g/mol. Its IUPAC name is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID60615480
Molecular FormulaC21H23ClN4O3S
Molecular Weight446.96 g/mol
Exact Mass446.12
IUPAC Name1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)c1cccc(C#N)c1
InChIInChI=1S/C21H23ClN4O3S/c1-15(2)26(18-6-3-5-16(13-18)14-23)21(27)17-8-11-25(12-9-17)30(28,29)19-7-4-10-24-20(19)22/h3-7,10,13,15,17H,8-9,11-12H2,1-2H3
InChIKeySWIQLWCLIVEJOV-UHFFFAOYSA-N
XLogP3.45
TPSA94.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.96
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-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-[(2-chloro-3-pyridinyl)sulfonyl]-N-ethyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 55587245
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
N-(3-cyanophenyl)-1-methyl-4-piperidin-1-ylsulfonyl-N-propan-2-ylpyrrole-2-carboxamide
CID 60615586
[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 51331040
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 31122765
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794396
[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55674032
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 31069432
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31304480
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 55897211
N-(5-chloro-2-methylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 31079598
1-[(2-chloro-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 62941378

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide (CID 60615480) is 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)c1cccc(C#N)c1.
What is the InChIKey of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is SWIQLWCLIVEJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3S/c1-15(2)26(18-6-3-5-16(13-18)14-23)21(27)17-8-11-25(12-9-17)30(28,29)19-7-4-10-24-20(19)22/h3-7,10,13,15,17H,8-9,11-12H2,1-2H3.
What are the key properties of 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide?
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 446.96 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-cyanophenyl)-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 60615480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).