2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide

C16H19N3O4 — CID 30948423

IUPAC2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCn2ncccc2=O)c1OC
InChIInChI=1S/C16H19N3O4/c1-22-13-7-3-6-12(15(13)23-2)16(21)17-9-5-11-19-14(20)8-4-10-18-19/h3-4,6-8,10H,5,9,11H2,1-2H3,(H,17,21)
InChIKeyCKSPWPUYLCRHGU-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.08
Rot. Bonds7

About 2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide

2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide (PubChem CID 30948423) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
PubChem CID30948423
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCn2ncccc2=O)c1OC
InChIInChI=1S/C16H19N3O4/c1-22-13-7-3-6-12(15(13)23-2)16(21)17-9-5-11-19-14(20)8-4-10-18-19/h3-4,6-8,10H,5,9,11H2,1-2H3,(H,17,21)
InChIKeyCKSPWPUYLCRHGU-UHFFFAOYSA-N
XLogP1.08
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-N-[3-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propyl]benzamide
CID 42143602
N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide
CID 4777497
2-benzoyl-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948534
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
2-nitro-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948429
1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948399
N-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
CID 43601624
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416174
2,3-dimethoxy-N-(3-phenylsulfanylpropyl)benzamide
CID 38568099
N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
CID 47038001

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide (CID 30948423) is 2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide is COc1cccc(C(=O)NCCCn2ncccc2=O)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide?
The InChIKey is CKSPWPUYLCRHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-22-13-7-3-6-12(15(13)23-2)16(21)17-9-5-11-19-14(20)8-4-10-18-19/h3-4,6-8,10H,5,9,11H2,1-2H3,(H,17,21).
What are the key properties of 2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide?
2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide has a molecular weight of 317.35 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide is sourced from PubChem (CID 30948423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).