2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

C20H22N6O2 — CID 121280566

IUPAC2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1nc(C2CCOCC2)cn1CC(=O)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C20H22N6O2/c1-14-24-18(15-4-8-28-9-5-15)12-26(14)13-20(27)25-19-3-2-16(10-23-19)17-11-21-6-7-22-17/h2-3,6-7,10-12,15H,4-5,8-9,13H2,1H3,(H,23,25,27)
InChIKeySTKQGAOZLSOQFW-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.58
Rot. Bonds5

About 2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide

2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (PubChem CID 121280566) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
PubChem CID121280566
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
SMILESCc1nc(C2CCOCC2)cn1CC(=O)Nc1ccc(-c2cnccn2)cn1
InChIInChI=1S/C20H22N6O2/c1-14-24-18(15-4-8-28-9-5-15)12-26(14)13-20(27)25-19-3-2-16(10-23-19)17-11-21-6-7-22-17/h2-3,6-7,10-12,15H,4-5,8-9,13H2,1H3,(H,23,25,27)
InChIKeySTKQGAOZLSOQFW-UHFFFAOYSA-N
XLogP2.58
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide (CID 121280566) is 2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is Cc1nc(C2CCOCC2)cn1CC(=O)Nc1ccc(-c2cnccn2)cn1.
What is the InChIKey of 2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
The InChIKey is STKQGAOZLSOQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-14-24-18(15-4-8-28-9-5-15)12-26(14)13-20(27)25-19-3-2-16(10-23-19)17-11-21-6-7-22-17/h2-3,6-7,10-12,15H,4-5,8-9,13H2,1H3,(H,23,25,27).
What are the key properties of 2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide?
2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide has a molecular weight of 378.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(oxan-4-yl)imidazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 121280566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).