4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione

C11H13N3O3 — CID 162482077

IUPAC4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione
SMILESCC(=O)N1CC=C(c2cc(=O)[nH][nH]c2=O)CC1
InChIInChI=1S/C11H13N3O3/c1-7(15)14-4-2-8(3-5-14)9-6-10(16)12-13-11(9)17/h2,6H,3-5H2,1H3,(H,12,16)(H,13,17)
InChIKeyCNUZBYHPAKGSOX-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.30
Rot. Bonds1

About 4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione

4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione (PubChem CID 162482077) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione
PubChem CID162482077
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione
SMILESCC(=O)N1CC=C(c2cc(=O)[nH][nH]c2=O)CC1
InChIInChI=1S/C11H13N3O3/c1-7(15)14-4-2-8(3-5-14)9-6-10(16)12-13-11(9)17/h2,6H,3-5H2,1H3,(H,12,16)(H,13,17)
InChIKeyCNUZBYHPAKGSOX-UHFFFAOYSA-N
XLogP-0.30
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione with MolForge

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Related Compounds

1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 154320676
1-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 165380250
1-[4-(1-hydroxynaphthalen-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 18751551
1-[4-(2-fluoro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 59326965
1-[4-(2-tert-butyl-5-chloro-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 139473206
1-[4-(2-tert-butyl-5-methyl-3-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 158681077
1-[4-(2-pyrrolidin-2-ylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 150636588
1-[4-(6-bromo-1H-indazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 121326046
ethane;1-[4-[2-[(2R)-pyrrolidin-2-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 166157771
1-[4-(1H-pyrrolo[2,3-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 141396571
1-[4-[2-(4-aminophenoxy)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 59373928
1-[4-(3-amino-7-chloroisoquinolin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 135343209

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione (CID 162482077) is 4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione is CC(=O)N1CC=C(c2cc(=O)[nH][nH]c2=O)CC1.
What is the InChIKey of 4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione?
The InChIKey is CNUZBYHPAKGSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7(15)14-4-2-8(3-5-14)9-6-10(16)12-13-11(9)17/h2,6H,3-5H2,1H3,(H,12,16)(H,13,17).
What are the key properties of 4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione?
4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione has a molecular weight of 235.24 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 162482077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).