2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide

C23H27N7O4S — CID 139503473

IUPAC2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CCC4)n3)nc2)n1
InChIInChI=1S/C23H27N7O4S/c1-4-34-20-14-24-13-17(27-20)15-8-9-19(26-12-15)29-21(31)23(2,3)18-10-11-25-22(28-18)30-35(32,33)16-6-5-7-16/h8-14,16H,4-7H2,1-3H3,(H,25,28,30)(H,26,29,31)
InChIKeyDQJXWTDODCESBC-UHFFFAOYSA-N
MW497.58 g/mol
LogP2.94
Rot. Bonds9

About 2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide

2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide (PubChem CID 139503473) has the molecular formula C23H27N7O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide
PubChem CID139503473
Molecular FormulaC23H27N7O4S
Molecular Weight497.58 g/mol
Exact Mass497.18
IUPAC Name2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CCC4)n3)nc2)n1
InChIInChI=1S/C23H27N7O4S/c1-4-34-20-14-24-13-17(27-20)15-8-9-19(26-12-15)29-21(31)23(2,3)18-10-11-25-22(28-18)30-35(32,33)16-6-5-7-16/h8-14,16H,4-7H2,1-3H3,(H,25,28,30)(H,26,29,31)
InChIKeyDQJXWTDODCESBC-UHFFFAOYSA-N
XLogP2.94
TPSA148.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide (CID 139503473) is 2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide is CCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(=O)(=O)C4CCC4)n3)nc2)n1.
What is the InChIKey of 2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide?
The InChIKey is DQJXWTDODCESBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O4S/c1-4-34-20-14-24-13-17(27-20)15-8-9-19(26-12-15)29-21(31)23(2,3)18-10-11-25-22(28-18)30-35(32,33)16-6-5-7-16/h8-14,16H,4-7H2,1-3H3,(H,25,28,30)(H,26,29,31).
What are the key properties of 2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide?
2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide has a molecular weight of 497.58 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 139503473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).