5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one

C18H18N4O — CID 69104247

IUPAC5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2ncc(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C18H18N4O/c1-12(2)22-11-14(8-9-16(22)23)17-18(21-15(19)10-20-17)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,19,21)
InChIKeyLORSDMPFWXXPFI-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.14
Rot. Bonds3

About 5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one

5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one (PubChem CID 69104247) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one
PubChem CID69104247
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2ncc(N)nc2-c2ccccc2)ccc1=O
InChIInChI=1S/C18H18N4O/c1-12(2)22-11-14(8-9-16(22)23)17-18(21-15(19)10-20-17)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,19,21)
InChIKeyLORSDMPFWXXPFI-UHFFFAOYSA-N
XLogP3.14
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one (CID 69104247) is 5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one is CC(C)n1cc(-c2ncc(N)nc2-c2ccccc2)ccc1=O.
What is the InChIKey of 5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one?
The InChIKey is LORSDMPFWXXPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12(2)22-11-14(8-9-16(22)23)17-18(21-15(19)10-20-17)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,19,21).
What are the key properties of 5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one?
5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-3-phenylpyrazin-2-yl)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 69104247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).