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

C24H22N4O3 — CID 118560849

IUPAC2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide
SMILESCc1cncc(-c2ncc(NC(=O)Cc3cc(C)cc4c3C(=O)N(C)C4=O)cc2C)c1
InChIInChI=1S/C24H22N4O3/c1-13-5-16(21-19(7-13)23(30)28(4)24(21)31)9-20(29)27-18-8-15(3)22(26-12-18)17-6-14(2)10-25-11-17/h5-8,10-12H,9H2,1-4H3,(H,27,29)
InChIKeyJTYDSDFDBZMBQF-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.48
Rot. Bonds4

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

2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide (PubChem CID 118560849) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide
PubChem CID118560849
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide
SMILESCc1cncc(-c2ncc(NC(=O)Cc3cc(C)cc4c3C(=O)N(C)C4=O)cc2C)c1
InChIInChI=1S/C24H22N4O3/c1-13-5-16(21-19(7-13)23(30)28(4)24(21)31)9-20(29)27-18-8-15(3)22(26-12-18)17-6-14(2)10-25-11-17/h5-8,10-12H,9H2,1-4H3,(H,27,29)
InChIKeyJTYDSDFDBZMBQF-UHFFFAOYSA-N
XLogP3.48
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.48
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
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
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(4-pyridazin-3-ylphenyl)acetamide
CID 118560768
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-(5-pyridin-2-yl-2-pyridinyl)acetamide
CID 118560683
2-(2-cyclopropyl-6-methyl-1,3-dioxoisoindol-4-yl)-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]acetamide
CID 118560643
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
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(2-fluorophenyl)pyridazin-3-yl]acetamide
CID 118560694
(2S)-2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[6-(5-methyl-3-pyridinyl)-1,2-dihydropyridazin-3-yl]propanamide
CID 144972322
ethane;2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-methyl-6-(4-methylphenyl)-3-pyridinyl]acetamide
CID 144869172
(5-methyl-6-phenyl-3-pyridinyl)carbamic acid
CID 174191032
2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide
CID 118567322
2-methoxy-N-(5-methyl-3-pyridinyl)acetamide
CID 103738953

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide (CID 118560849) is 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide is Cc1cncc(-c2ncc(NC(=O)Cc3cc(C)cc4c3C(=O)N(C)C4=O)cc2C)c1.
What is the InChIKey of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide?
The InChIKey is JTYDSDFDBZMBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-13-5-16(21-19(7-13)23(30)28(4)24(21)31)9-20(29)27-18-8-15(3)22(26-12-18)17-6-14(2)10-25-11-17/h5-8,10-12H,9H2,1-4H3,(H,27,29).
What are the key properties of 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide?
2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide has a molecular weight of 414.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-1,3-dioxoisoindol-4-yl)-N-[5-methyl-6-(5-methyl-3-pyridinyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 118560849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).