2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C21H17N5OS — CID 121280464

IUPAC2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2csc(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1
InChIInChI=1S/C21H17N5OS/c1-14-8-15(4-5-23-14)17-9-18(28-13-17)10-21(27)26-20-3-2-16(11-25-20)19-12-22-6-7-24-19/h2-9,11-13H,10H2,1H3,(H,25,26,27)
InChIKeyNDUFSAWOUQHCDV-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.15
Rot. Bonds5

About 2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280464) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280464
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC Name2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1cc(-c2csc(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1
InChIInChI=1S/C21H17N5OS/c1-14-8-15(4-5-23-14)17-9-18(28-13-17)10-21(27)26-20-3-2-16(11-25-20)19-12-22-6-7-24-19/h2-9,11-13H,10H2,1H3,(H,25,26,27)
InChIKeyNDUFSAWOUQHCDV-UHFFFAOYSA-N
XLogP4.15
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280464) is 2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1cc(-c2csc(CC(=O)Nc3ccc(-c4cnccn4)cn3)c2)ccn1.
What is the InChIKey of 2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is NDUFSAWOUQHCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c1-14-8-15(4-5-23-14)17-9-18(28-13-17)10-21(27)26-20-3-2-16(11-25-20)19-12-22-6-7-24-19/h2-9,11-13H,10H2,1H3,(H,25,26,27).
What are the key properties of 2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 387.47 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).