2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide

C20H15N5O3 — CID 118567322

IUPAC2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cccnc3)nn2)c2c(c1)C(=O)NC2=O
InChIInChI=1S/C20H15N5O3/c1-11-7-13(18-14(8-11)19(27)23-20(18)28)9-17(26)22-16-5-4-15(24-25-16)12-3-2-6-21-10-12/h2-8,10H,9H2,1H3,(H,22,25,26)(H,23,27,28)
InChIKeyRHUJFCNDHOGYSB-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.91
Rot. Bonds4

About 2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide

2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide (PubChem CID 118567322) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide
PubChem CID118567322
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cccnc3)nn2)c2c(c1)C(=O)NC2=O
InChIInChI=1S/C20H15N5O3/c1-11-7-13(18-14(8-11)19(27)23-20(18)28)9-17(26)22-16-5-4-15(24-25-16)12-3-2-6-21-10-12/h2-8,10H,9H2,1H3,(H,22,25,26)(H,23,27,28)
InChIKeyRHUJFCNDHOGYSB-UHFFFAOYSA-N
XLogP1.91
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide
CID 118560825
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide
CID 118560694
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide
CID 118560768
2-(2,7-dimethyl-1,3-dioxoisoindol-4-yl)-N-(6-phenylpyridazin-3-yl)acetamide
CID 118567309
2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid
CID 116971458
2-(2,4-dimethylphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 18581453
2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine
CID 116970540
2-methyl-N-[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]propanamide
CID 113042074
4-methyl-N-(6-phenylpyridazin-3-yl)pyridine-3-carboxamide
CID 167955003
3-methyl-6-pyridin-3-ylpyridazine
CID 89161646
4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide
CID 118184684
N-(3,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7688154

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide?
The IUPAC name of 2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide (CID 118567322) is 2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide?
The canonical SMILES for 2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide is Cc1cc(CC(=O)Nc2ccc(-c3cccnc3)nn2)c2c(c1)C(=O)NC2=O.
What is the InChIKey of 2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide?
The InChIKey is RHUJFCNDHOGYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-11-7-13(18-14(8-11)19(27)23-20(18)28)9-17(26)22-16-5-4-15(24-25-16)12-3-2-6-21-10-12/h2-8,10H,9H2,1H3,(H,22,25,26)(H,23,27,28).
What are the key properties of 2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide?
2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide has a molecular weight of 373.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide is sourced from PubChem (CID 118567322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).