2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide

C21H21N5O4S — CID 139510075

IUPAC2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide
SMILESCOc1cncc(-c2ccc(NC(=O)Cc3cccc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C21H21N5O4S/c1-30-21-13-22-12-18(25-21)14-5-7-15(8-6-14)24-20(27)11-16-3-2-4-19(23-16)26-31(28,29)17-9-10-17/h2-8,12-13,17H,9-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyRSNWXEAOIWEQTQ-UHFFFAOYSA-N
MW439.50 g/mol
LogP2.63
Rot. Bonds8

About 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide

2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide (PubChem CID 139510075) has the molecular formula C21H21N5O4S and a molecular weight of 439.50 g/mol. Its IUPAC name is 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide
PubChem CID139510075
Molecular FormulaC21H21N5O4S
Molecular Weight439.50 g/mol
Exact Mass439.13
IUPAC Name2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide
SMILESCOc1cncc(-c2ccc(NC(=O)Cc3cccc(NS(=O)(=O)C4CC4)n3)cc2)n1
InChIInChI=1S/C21H21N5O4S/c1-30-21-13-22-12-18(25-21)14-5-7-15(8-6-14)24-20(27)11-16-3-2-4-19(23-16)26-31(28,29)17-9-10-17/h2-8,12-13,17H,9-11H2,1H3,(H,23,26)(H,24,27)
InChIKeyRSNWXEAOIWEQTQ-UHFFFAOYSA-N
XLogP2.63
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide?
The IUPAC name of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide (CID 139510075) is 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide is COc1cncc(-c2ccc(NC(=O)Cc3cccc(NS(=O)(=O)C4CC4)n3)cc2)n1.
What is the InChIKey of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide?
The InChIKey is RSNWXEAOIWEQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4S/c1-30-21-13-22-12-18(25-21)14-5-7-15(8-6-14)24-20(27)11-16-3-2-4-19(23-16)26-31(28,29)17-9-10-17/h2-8,12-13,17H,9-11H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide?
2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide has a molecular weight of 439.50 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 139510075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).