N-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide

C22H26N6O4S2 — CID 151081452

IUPACN-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(C)(C)c3nc(NS(=O)(=O)C4CC4)sc3C)nc2)n1
InChIInChI=1S/C22H26N6O4S2/c1-5-32-18-12-23-11-17(25-18)14-6-9-16(24-10-14)20(29)27-22(3,4)19-13(2)33-21(26-19)28-34(30,31)15-7-8-15/h6,9-12,15H,5,7-8H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyMKFBQCJGQBPMTH-UHFFFAOYSA-N
MW502.62 g/mol
LogP3.27
Rot. Bonds9

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

N-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (PubChem CID 151081452) has the molecular formula C22H26N6O4S2 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
PubChem CID151081452
Molecular FormulaC22H26N6O4S2
Molecular Weight502.62 g/mol
Exact Mass502.15
IUPAC NameN-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
SMILESCCOc1cncc(-c2ccc(C(=O)NC(C)(C)c3nc(NS(=O)(=O)C4CC4)sc3C)nc2)n1
InChIInChI=1S/C22H26N6O4S2/c1-5-32-18-12-23-11-17(25-18)14-6-9-16(24-10-14)20(29)27-22(3,4)19-13(2)33-21(26-19)28-34(30,31)15-7-8-15/h6,9-12,15H,5,7-8H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyMKFBQCJGQBPMTH-UHFFFAOYSA-N
XLogP3.27
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide (CID 151081452) is N-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is CCOc1cncc(-c2ccc(C(=O)NC(C)(C)c3nc(NS(=O)(=O)C4CC4)sc3C)nc2)n1.
What is the InChIKey of N-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
The InChIKey is MKFBQCJGQBPMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S2/c1-5-32-18-12-23-11-17(25-18)14-6-9-16(24-10-14)20(29)27-22(3,4)19-13(2)33-21(26-19)28-34(30,31)15-7-8-15/h6,9-12,15H,5,7-8H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide?
N-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]propan-2-yl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 151081452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).