2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide

C21H20N4O4 — CID 1262106

IUPAC2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide
SMILESO=C(/N=N/C(=O)c1ccc2c(O)n(C3CCCCC3)c(O)c2c1)c1cccnc1
InChIInChI=1S/C21H20N4O4/c26-18(23-24-19(27)14-5-4-10-22-12-14)13-8-9-16-17(11-13)21(29)25(20(16)28)15-6-2-1-3-7-15/h4-5,8-12,15,28-29H,1-3,6-7H2/b24-23+
InChIKeyZXEXBJPXQZCIEU-WCWDXBQESA-N
MW392.42 g/mol
LogP4.39
Rot. Bonds3

About 2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide

2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide (PubChem CID 1262106) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide
PubChem CID1262106
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide
SMILESO=C(/N=N/C(=O)c1ccc2c(O)n(C3CCCCC3)c(O)c2c1)c1cccnc1
InChIInChI=1S/C21H20N4O4/c26-18(23-24-19(27)14-5-4-10-22-12-14)13-8-9-16-17(11-13)21(29)25(20(16)28)15-6-2-1-3-7-15/h4-5,8-12,15,28-29H,1-3,6-7H2/b24-23+
InChIKeyZXEXBJPXQZCIEU-WCWDXBQESA-N
XLogP4.39
TPSA117.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide (CID 1262106) is 2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide is O=C(/N=N/C(=O)c1ccc2c(O)n(C3CCCCC3)c(O)c2c1)c1cccnc1.
What is the InChIKey of 2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide?
The InChIKey is ZXEXBJPXQZCIEU-WCWDXBQESA-N. The full InChI is InChI=1S/C21H20N4O4/c26-18(23-24-19(27)14-5-4-10-22-12-14)13-8-9-16-17(11-13)21(29)25(20(16)28)15-6-2-1-3-7-15/h4-5,8-12,15,28-29H,1-3,6-7H2/b24-23+.
What are the key properties of 2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide?
2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,3-dihydroxy-N-(pyridine-3-carbonylimino)isoindole-5-carboxamide is sourced from PubChem (CID 1262106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).