2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide

C21H16FN5O3 — CID 118560825

IUPAC2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cncc(F)c3)nn2)c2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C21H16FN5O3/c1-11-5-12(19-15(6-11)20(29)27(2)21(19)30)8-18(28)24-17-4-3-16(25-26-17)13-7-14(22)10-23-9-13/h3-7,9-10H,8H2,1-2H3,(H,24,26,28)
InChIKeyIFTQXRLALBBCOI-UHFFFAOYSA-N
MW405.39 g/mol
LogP2.39
Rot. Bonds4

About 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide

2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide (PubChem CID 118560825) has the molecular formula C21H16FN5O3 and a molecular weight of 405.39 g/mol. Its IUPAC name is 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide
PubChem CID118560825
Molecular FormulaC21H16FN5O3
Molecular Weight405.39 g/mol
Exact Mass405.12
IUPAC Name2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cncc(F)c3)nn2)c2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C21H16FN5O3/c1-11-5-12(19-15(6-11)20(29)27(2)21(19)30)8-18(28)24-17-4-3-16(25-26-17)13-7-14(22)10-23-9-13/h3-7,9-10H,8H2,1-2H3,(H,24,26,28)
InChIKeyIFTQXRLALBBCOI-UHFFFAOYSA-N
XLogP2.39
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide (CID 118560825) is 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide is Cc1cc(CC(=O)Nc2ccc(-c3cncc(F)c3)nn2)c2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide?
The InChIKey is IFTQXRLALBBCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O3/c1-11-5-12(19-15(6-11)20(29)27(2)21(19)30)8-18(28)24-17-4-3-16(25-26-17)13-7-14(22)10-23-9-13/h3-7,9-10H,8H2,1-2H3,(H,24,26,28).
What are the key properties of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide?
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide has a molecular weight of 405.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide is sourced from PubChem (CID 118560825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).