2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C21H17N5OS — CID 121280537

IUPAC2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1ccc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)cn3)s2)cn1
InChIInChI=1S/C21H17N5OS/c1-14-2-3-16(12-24-14)19-6-5-17(28-19)10-21(27)26-20-7-4-15(11-25-20)18-13-22-8-9-23-18/h2-9,11-13H,10H2,1H3,(H,25,26,27)
InChIKeyUMQSUBZJBXAWOY-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.15
Rot. Bonds5

About 2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280537) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280537
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC Name2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1ccc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)cn3)s2)cn1
InChIInChI=1S/C21H17N5OS/c1-14-2-3-16(12-24-14)19-6-5-17(28-19)10-21(27)26-20-7-4-15(11-25-20)18-13-22-8-9-23-18/h2-9,11-13H,10H2,1H3,(H,25,26,27)
InChIKeyUMQSUBZJBXAWOY-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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Related Compounds

Wnt-974
CID 46926973
6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329709
N-[2,3'-Bipyridin]-6'-yl-2',3-dimethyl[2,4'-bipyridine]-5-acetamide
CID 46927131
US10251893, Cpd 126
CID 46927132
US10251893, Cpd 128
CID 46927133
2'-Fluoro-3-methyl-N-[5-(2-pyrazinyl)-2-pyridinyl][2,4'-bipyridine]-5-acetamide
CID 46927364
N-(6-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiophene-2-carboxamide
CID 2741895
2-[5-methyl-6-(6-methyl-3-pyridinyl)-3-pyridinyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 121237481
2-[4-(2-methyl-4-pyridinyl)phenyl]sulfanyl-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 122192866
3-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)propanamide
CID 122192867
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-2-yl-2-pyridinyl)acetamide
CID 134145841
2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)-N-(5-thiophen-3-yl-2-pyridinyl)acetamide
CID 134156936

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280537) is 2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1ccc(-c2ccc(CC(=O)Nc3ccc(-c4cnccn4)cn3)s2)cn1.
What is the InChIKey of 2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is UMQSUBZJBXAWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c1-14-2-3-16(12-24-14)19-6-5-17(28-19)10-21(27)26-20-7-4-15(11-25-20)18-13-22-8-9-23-18/h2-9,11-13H,10H2,1H3,(H,25,26,27).
What are the key properties of 2-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[5-(6-methyl-3-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-[5-(6-methyl-3-pyridinyl)thiophen-2-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).