3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide

C21H25N5O3S — CID 126570018

About 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide

3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 126570018) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
• PubChem CID: 126570018
• Molecular Formula: C21H25N5O3S
• Molecular Weight: 427.53 g/mol
• Exact Mass: 427.17
• IUPAC Name: 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
• SMILES: CC[C@H](CO)NS(=O)(=O)c1ccc(C)c(-c2cnc(N)c(-c3ccnc(C)c3)n2)c1
• InChI: InChI=1S/C21H25N5O3S/c1-4-16(12-27)26-30(28,29)17-6-5-13(2)18(10-17)19-11-24-21(22)20(25-19)15-7-8-23-14(3)9-15/h5-11,16,26-27H,4,12H2,1-3H3,(H2,22,24)/t16-/m1/s1
• InChIKey: NCOCGAXMQMYZPV-MRXNPFEDSA-N
• XLogP: 2.45
• TPSA: 131.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.53
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide?

The IUPAC name of 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide (CID 126570018) is 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide.

What is the SMILES notation for 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide?

The canonical SMILES for 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide is CC[C@H](CO)NS(=O)(=O)c1ccc(C)c(-c2cnc(N)c(-c3ccnc(C)c3)n2)c1.

What is the InChIKey of 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide?

The InChIKey is NCOCGAXMQMYZPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-4-16(12-27)26-30(28,29)17-6-5-13(2)18(10-17)19-11-24-21(22)20(25-19)15-7-8-23-14(3)9-15/h5-11,16,26-27H,4,12H2,1-3H3,(H2,22,24)/t16-/m1/s1.

What are the key properties of 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide?

3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 427.53 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 126570018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).