2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide

C23H26N4O4 — CID 17483169

IUPAC2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCOCC4)nc3)cc2C1=O
InChIInChI=1S/C23H26N4O4/c1-15(2)7-8-27-22(29)18-5-3-16(13-19(18)23(27)30)21(28)25-17-4-6-20(24-14-17)26-9-11-31-12-10-26/h3-6,13-15H,7-12H2,1-2H3,(H,25,28)
InChIKeyCRINUOLUAGAMHG-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.81
Rot. Bonds6

About 2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide

2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 17483169) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID17483169
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCOCC4)nc3)cc2C1=O
InChIInChI=1S/C23H26N4O4/c1-15(2)7-8-27-22(29)18-5-3-16(13-19(18)23(27)30)21(28)25-17-4-6-20(24-14-17)26-9-11-31-12-10-26/h3-6,13-15H,7-12H2,1-2H3,(H,25,28)
InChIKeyCRINUOLUAGAMHG-UHFFFAOYSA-N
XLogP2.81
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
CID 34443751
2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide
CID 55968280
N-(6-morpholin-4-yl-3-pyridinyl)naphthalene-2-carboxamide
CID 3975213
N-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]oxyphenyl]-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362546
2-cyclohexyl-1,3-dioxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)isoindole-5-carboxamide
CID 37292360
2-(3-methylbutyl)-1,3-dioxo-N-(2-piperidin-1-ylphenyl)isoindole-5-carboxamide
CID 2409938
4-(2,5-dioxopyrrolidin-1-yl)-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18140140
3-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide;dihydrochloride
CID 119839707
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 58829523
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-(4-hydroxy-2-methylphenyl)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 17380462
2-(3-methylbutyl)-1,3-dioxo-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)isoindole-5-carboxamide
CID 17341640

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide (CID 17483169) is 2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide is CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCOCC4)nc3)cc2C1=O.
What is the InChIKey of 2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is CRINUOLUAGAMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-15(2)7-8-27-22(29)18-5-3-16(13-19(18)23(27)30)21(28)25-17-4-6-20(24-14-17)26-9-11-31-12-10-26/h3-6,13-15H,7-12H2,1-2H3,(H,25,28).
What are the key properties of 2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide?
2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 17483169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).