2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide

C23H27N7O4S — CID 139512789

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide
SMILESCCOc1cncc(-c2cnc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(C)c2)n1
InChIInChI=1S/C23H27N7O4S/c1-4-17(18-8-9-25-23(28-18)30-35(32,33)16-6-7-16)22(31)29-21-14(3)10-15(11-26-21)19-12-24-13-20(27-19)34-5-2/h8-13,16-17H,4-7H2,1-3H3,(H,25,28,30)(H,26,29,31)
InChIKeyJZNIPZPUDZQGKR-UHFFFAOYSA-N
MW497.58 g/mol
LogP3.07
Rot. Bonds10

About 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide (PubChem CID 139512789) has the molecular formula C23H27N7O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide
PubChem CID139512789
Molecular FormulaC23H27N7O4S
Molecular Weight497.58 g/mol
Exact Mass497.18
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide
SMILESCCOc1cncc(-c2cnc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(C)c2)n1
InChIInChI=1S/C23H27N7O4S/c1-4-17(18-8-9-25-23(28-18)30-35(32,33)16-6-7-16)22(31)29-21-14(3)10-15(11-26-21)19-12-24-13-20(27-19)34-5-2/h8-13,16-17H,4-7H2,1-3H3,(H,25,28,30)(H,26,29,31)
InChIKeyJZNIPZPUDZQGKR-UHFFFAOYSA-N
XLogP3.07
TPSA148.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide (CID 139512789) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide is CCOc1cncc(-c2cnc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)c(C)c2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide?
The InChIKey is JZNIPZPUDZQGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O4S/c1-4-17(18-8-9-25-23(28-18)30-35(32,33)16-6-7-16)22(31)29-21-14(3)10-15(11-26-21)19-12-24-13-20(27-19)34-5-2/h8-13,16-17H,4-7H2,1-3H3,(H,25,28,30)(H,26,29,31).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide has a molecular weight of 497.58 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-methyl-2-pyridinyl]butanamide is sourced from PubChem (CID 139512789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).