2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide

C15H22N4O — CID 59570409

IUPAC2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(C(C(N)=O)N2CCN3CCC[C@@H]3C2)n1
InChIInChI=1S/C15H22N4O/c1-11-4-2-6-13(17-11)14(15(16)20)19-9-8-18-7-3-5-12(18)10-19/h2,4,6,12,14H,3,5,7-10H2,1H3,(H2,16,20)/t12-,14?/m1/s1
InChIKeyHCUVHRZTERWMBZ-PUODRLBUSA-N
MW274.37 g/mol
LogP0.70
Rot. Bonds3

About 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide

2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide (PubChem CID 59570409) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide
PubChem CID59570409
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(C(C(N)=O)N2CCN3CCC[C@@H]3C2)n1
InChIInChI=1S/C15H22N4O/c1-11-4-2-6-13(17-11)14(15(16)20)19-9-8-18-7-3-5-12(18)10-19/h2,4,6,12,14H,3,5,7-10H2,1H3,(H2,16,20)/t12-,14?/m1/s1
InChIKeyHCUVHRZTERWMBZ-PUODRLBUSA-N
XLogP0.70
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide (CID 59570409) is 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(C(C(N)=O)N2CCN3CCC[C@@H]3C2)n1.
What is the InChIKey of 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is HCUVHRZTERWMBZ-PUODRLBUSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-4-2-6-13(17-11)14(15(16)20)19-9-8-18-7-3-5-12(18)10-19/h2,4,6,12,14H,3,5,7-10H2,1H3,(H2,16,20)/t12-,14?/m1/s1.
What are the key properties of 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide?
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 274.37 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 59570409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).