N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

C22H24N6O4S2 — CID 163271503

About N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (PubChem CID 163271503) has the molecular formula C22H24N6O4S2 and a molecular weight of 500.61 g/mol. Its IUPAC name is N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
• PubChem CID: 163271503
• Molecular Formula: C22H24N6O4S2
• Molecular Weight: 500.61 g/mol
• Exact Mass: 500.13
• IUPAC Name: N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
• SMILES: CCOc1cncc(-c2ccc(C(=O)NC3(c4csc(N(C)S(=O)(=O)C5CC5)n4)CC3)nc2)n1
• InChI: InChI=1S/C22H24N6O4S2/c1-3-32-19-12-23-11-17(25-19)14-4-7-16(24-10-14)20(29)27-22(8-9-22)18-13-33-21(26-18)28(2)34(30,31)15-5-6-15/h4,7,10-13,15H,3,5-6,8-9H2,1-2H3,(H,27,29)
• InChIKey: KRFLUFLLBIJNLQ-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 127.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.61
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?

The IUPAC name of N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (CID 163271503) is N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?

The canonical SMILES for N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is CCOc1cncc(-c2ccc(C(=O)NC3(c4csc(N(C)S(=O)(=O)C5CC5)n4)CC3)nc2)n1.

What is the InChIKey of N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?

The InChIKey is KRFLUFLLBIJNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4S2/c1-3-32-19-12-23-11-17(25-19)14-4-7-16(24-10-14)20(29)27-22(8-9-22)18-13-33-21(26-18)28(2)34(30,31)15-5-6-15/h4,7,10-13,15H,3,5-6,8-9H2,1-2H3,(H,27,29).

What are the key properties of N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?

N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide has a molecular weight of 500.61 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[cyclopropylsulfonyl(methyl)amino]-1,3-thiazol-4-yl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 163271503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).