2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide

C23H25N5O4S — CID 139509975

IUPAC2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
SMILESCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3cccc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C23H25N5O4S/c1-23(2,19-5-4-6-20(27-19)28-33(30,31)17-11-12-17)22(29)25-16-9-7-15(8-10-16)18-13-24-14-21(26-18)32-3/h4-10,13-14,17H,11-12H2,1-3H3,(H,25,29)(H,27,28)
InChIKeyAGORGSDYKGVBJU-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.37
Rot. Bonds8

About 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide

2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide (PubChem CID 139509975) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
PubChem CID139509975
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC Name2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
SMILESCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3cccc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C23H25N5O4S/c1-23(2,19-5-4-6-20(27-19)28-33(30,31)17-11-12-17)22(29)25-16-9-7-15(8-10-16)18-13-24-14-21(26-18)32-3/h4-10,13-14,17H,11-12H2,1-3H3,(H,25,29)(H,27,28)
InChIKeyAGORGSDYKGVBJU-UHFFFAOYSA-N
XLogP3.37
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide (CID 139509975) is 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide is COc1cncc(-c2ccc(NC(=O)C(C)(C)c3cccc(NS(=O)(=O)C4CC4)n3)cc2)n1.
What is the InChIKey of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is AGORGSDYKGVBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-23(2,19-5-4-6-20(27-19)28-33(30,31)17-11-12-17)22(29)25-16-9-7-15(8-10-16)18-13-24-14-21(26-18)32-3/h4-10,13-14,17H,11-12H2,1-3H3,(H,25,29)(H,27,28).
What are the key properties of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 467.55 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 139509975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).