5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide

C15H17ClN4O3S — CID 162649363

IUPAC5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cncc(C(=O)NC)c2)cnc1Cl
InChIInChI=1S/C15H17ClN4O3S/c1-3-4-24(22,23)20-13-6-11(9-19-14(13)16)10-5-12(8-18-7-10)15(21)17-2/h5-9,20H,3-4H2,1-2H3,(H,17,21)
InChIKeyMDWJYFIUKIAUGA-UHFFFAOYSA-N
MW368.85 g/mol
LogP2.31
Rot. Bonds6

About 5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide

5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide (PubChem CID 162649363) has the molecular formula C15H17ClN4O3S and a molecular weight of 368.85 g/mol. Its IUPAC name is 5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
PubChem CID162649363
Molecular FormulaC15H17ClN4O3S
Molecular Weight368.85 g/mol
Exact Mass368.07
IUPAC Name5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cncc(C(=O)NC)c2)cnc1Cl
InChIInChI=1S/C15H17ClN4O3S/c1-3-4-24(22,23)20-13-6-11(9-19-14(13)16)10-5-12(8-18-7-10)15(21)17-2/h5-9,20H,3-4H2,1-2H3,(H,17,21)
InChIKeyMDWJYFIUKIAUGA-UHFFFAOYSA-N
XLogP2.31
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide (CID 162649363) is 5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide is CCCS(=O)(=O)Nc1cc(-c2cncc(C(=O)NC)c2)cnc1Cl.
What is the InChIKey of 5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide?
The InChIKey is MDWJYFIUKIAUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3S/c1-3-4-24(22,23)20-13-6-11(9-19-14(13)16)10-5-12(8-18-7-10)15(21)17-2/h5-9,20H,3-4H2,1-2H3,(H,17,21).
What are the key properties of 5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide?
5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide has a molecular weight of 368.85 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-(propylsulfonylamino)-3-pyridinyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 162649363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).