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

C23H26N6O4S — CID 139509957

IUPAC2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(CC)c3cccc(NS(=O)(=O)C4CC4)n3)nc2)n1
InChIInChI=1S/C23H26N6O4S/c1-3-17(18-6-5-7-21(26-18)29-34(31,32)16-9-10-16)23(30)28-20-11-8-15(12-25-20)19-13-24-14-22(27-19)33-4-2/h5-8,11-14,16-17H,3-4,9-10H2,1-2H3,(H,26,29)(H,25,28,30)
InChIKeyFOLVLIMYMKMNLQ-UHFFFAOYSA-N
MW482.57 g/mol
LogP3.37
Rot. Bonds10

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

2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide (PubChem CID 139509957) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide
PubChem CID139509957
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC Name2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide
SMILESCCOc1cncc(-c2ccc(NC(=O)C(CC)c3cccc(NS(=O)(=O)C4CC4)n3)nc2)n1
InChIInChI=1S/C23H26N6O4S/c1-3-17(18-6-5-7-21(26-18)29-34(31,32)16-9-10-16)23(30)28-20-11-8-15(12-25-20)19-13-24-14-22(27-19)33-4-2/h5-8,11-14,16-17H,3-4,9-10H2,1-2H3,(H,26,29)(H,25,28,30)
InChIKeyFOLVLIMYMKMNLQ-UHFFFAOYSA-N
XLogP3.37
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide?
The IUPAC name of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide (CID 139509957) is 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide.
What is the SMILES notation for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide?
The canonical SMILES for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide is CCOc1cncc(-c2ccc(NC(=O)C(CC)c3cccc(NS(=O)(=O)C4CC4)n3)nc2)n1.
What is the InChIKey of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide?
The InChIKey is FOLVLIMYMKMNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-3-17(18-6-5-7-21(26-18)29-34(31,32)16-9-10-16)23(30)28-20-11-8-15(12-25-20)19-13-24-14-22(27-19)33-4-2/h5-8,11-14,16-17H,3-4,9-10H2,1-2H3,(H,26,29)(H,25,28,30).
What are the key properties of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide?
2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide has a molecular weight of 482.57 g/mol, XLogP of 3.37, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]butanamide is sourced from PubChem (CID 139509957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).