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

C24H19FN4O3 — CID 118560643

IUPAC2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cncc(F)c3)cn2)c2c(c1)C(=O)N(C1CC1)C2=O
InChIInChI=1S/C24H19FN4O3/c1-13-6-15(22-19(7-13)23(31)29(24(22)32)18-3-4-18)9-21(30)28-20-5-2-14(11-27-20)16-8-17(25)12-26-10-16/h2,5-8,10-12,18H,3-4,9H2,1H3,(H,27,28,30)
InChIKeyVKRQBFJSKFOWCV-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.53
Rot. Bonds5

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

2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide (PubChem CID 118560643) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide
PubChem CID118560643
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3cncc(F)c3)cn2)c2c(c1)C(=O)N(C1CC1)C2=O
InChIInChI=1S/C24H19FN4O3/c1-13-6-15(22-19(7-13)23(31)29(24(22)32)18-3-4-18)9-21(30)28-20-5-2-14(11-27-20)16-8-17(25)12-26-10-16/h2,5-8,10-12,18H,3-4,9H2,1H3,(H,27,28,30)
InChIKeyVKRQBFJSKFOWCV-UHFFFAOYSA-N
XLogP3.53
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]propanamide
CID 118560751
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 118560683
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-fluoro-3-pyridinyl)-1,2-dihydropyridazin-3-yl]acetamide;molecular hydrogen
CID 144972386
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
CID 118174168
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide
CID 118560849
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide
CID 118560694
N-[(1E,3Z)-1,4-diamino-4-(5-fluoro-3-pyridinyl)buta-1,3-dienyl]-2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)acetamide
CID 144972371
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 58442893
2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[(1E,3Z,5E)-1,4-diamino-5-[(Z)-prop-1-enyl]octa-1,3,5-trienyl]acetamide
CID 144972452
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-methylpropanamide
CID 138673909
2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide
CID 58442871

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide (CID 118560643) is 2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide is Cc1cc(CC(=O)Nc2ccc(-c3cncc(F)c3)cn2)c2c(c1)C(=O)N(C1CC1)C2=O.
What is the InChIKey of 2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide?
The InChIKey is VKRQBFJSKFOWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-13-6-15(22-19(7-13)23(31)29(24(22)32)18-3-4-18)9-21(30)28-20-5-2-14(11-27-20)16-8-17(25)12-26-10-16/h2,5-8,10-12,18H,3-4,9H2,1H3,(H,27,28,30).
What are the key properties of 2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide?
2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide has a molecular weight of 430.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118560643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).