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

C22H25N7O4S — CID 139503543

IUPAC2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1
InChIInChI=1S/C22H25N7O4S/c1-3-16(17-9-10-24-22(27-17)29-34(31,32)15-6-7-15)21(30)28-19-8-5-14(11-25-19)18-12-23-13-20(26-18)33-4-2/h5,8-13,15-16H,3-4,6-7H2,1-2H3,(H,24,27,29)(H,25,28,30)
InChIKeyFUOWMPHSEQXRTE-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.76
Rot. Bonds10

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

2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide (PubChem CID 139503543) has the molecular formula C22H25N7O4S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide
PubChem CID139503543
Molecular FormulaC22H25N7O4S
Molecular Weight483.55 g/mol
Exact Mass483.17
IUPAC Name2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1
InChIInChI=1S/C22H25N7O4S/c1-3-16(17-9-10-24-22(27-17)29-34(31,32)15-6-7-15)21(30)28-19-8-5-14(11-25-19)18-12-23-13-20(26-18)33-4-2/h5,8-13,15-16H,3-4,6-7H2,1-2H3,(H,24,27,29)(H,25,28,30)
InChIKeyFUOWMPHSEQXRTE-UHFFFAOYSA-N
XLogP2.76
TPSA148.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.76
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)-2-pyridinyl]butanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide (CID 139503543) is 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide is CCOc1cncc(-c2ccc(NC(=O)C(CC)c3ccnc(NS(=O)(=O)C4CC4)n3)nc2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide?
The InChIKey is FUOWMPHSEQXRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O4S/c1-3-16(17-9-10-24-22(27-17)29-34(31,32)15-6-7-15)21(30)28-19-8-5-14(11-25-19)18-12-23-13-20(26-18)33-4-2/h5,8-13,15-16H,3-4,6-7H2,1-2H3,(H,24,27,29)(H,25,28,30).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide?
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide has a molecular weight of 483.55 g/mol, XLogP of 2.76, 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)-2-pyridinyl]butanamide is sourced from PubChem (CID 139503543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).