3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one

C19H17N3O4 — CID 46337486

IUPAC3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one
SMILESCOc1ccc(-n2ccnc(NCc3ccc4c(c3)OCO4)c2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-24-15-5-3-14(4-6-15)22-9-8-20-18(19(22)23)21-11-13-2-7-16-17(10-13)26-12-25-16/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyPNYGJCZHAHZFPH-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.58
Rot. Bonds5

About 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one

3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one (PubChem CID 46337486) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one
PubChem CID46337486
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one
SMILESCOc1ccc(-n2ccnc(NCc3ccc4c(c3)OCO4)c2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-24-15-5-3-14(4-6-15)22-9-8-20-18(19(22)23)21-11-13-2-7-16-17(10-13)26-12-25-16/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyPNYGJCZHAHZFPH-UHFFFAOYSA-N
XLogP2.58
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-chlorophenyl)pyrazin-2-one
CID 46337475
3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 46337596
3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
3-(1,3-benzodioxol-5-ylmethylamino)-1-[3-(trifluoromethyl)phenyl]pyrazin-2-one
CID 46337519
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40518471
3-[(2-chlorophenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 20941631
1-(1,3-benzodioxol-5-yl)-3-(3-methylbutylamino)pyrazin-2-one
CID 20941705
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide
CID 53118441
N-(1,3-benzodioxol-5-ylmethyl)-3-(5-methoxy-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 126472407
3-[(3,4-dimethoxyphenyl)methylamino]-1-(3,5-dimethylphenyl)pyrazin-2-one
CID 16824606
1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 16824611
N-(1,3-benzodioxol-5-ylmethyl)-2-imidazol-1-yl-5-(4-methoxyphenyl)pyrimidin-4-amine;hydrochloride
CID 22402342

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one?
The IUPAC name of 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one (CID 46337486) is 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one is COc1ccc(-n2ccnc(NCc3ccc4c(c3)OCO4)c2=O)cc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one?
The InChIKey is PNYGJCZHAHZFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-24-15-5-3-14(4-6-15)22-9-8-20-18(19(22)23)21-11-13-2-7-16-17(10-13)26-12-25-16/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one?
3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one has a molecular weight of 351.36 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 3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-methoxyphenyl)pyrazin-2-one is sourced from PubChem (CID 46337486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).