N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide

C21H14N4O4 — CID 162647180

IUPACN-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide
SMILESO=C(/N=N/C(=O)c1ccc(-n2c(O)c3ccccc3c2O)cc1)c1ccncc1
InChIInChI=1S/C21H14N4O4/c26-18(23-24-19(27)14-9-11-22-12-10-14)13-5-7-15(8-6-13)25-20(28)16-3-1-2-4-17(16)21(25)29/h1-12,28-29H/b24-23+
InChIKeyUBWDPIVTNJBJOZ-WCWDXBQESA-N
MW386.37 g/mol
LogP3.87
Rot. Bonds3

About N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide

N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide (PubChem CID 162647180) has the molecular formula C21H14N4O4 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide
PubChem CID162647180
Molecular FormulaC21H14N4O4
Molecular Weight386.37 g/mol
Exact Mass386.10
IUPAC NameN-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide
SMILESO=C(/N=N/C(=O)c1ccc(-n2c(O)c3ccccc3c2O)cc1)c1ccncc1
InChIInChI=1S/C21H14N4O4/c26-18(23-24-19(27)14-9-11-22-12-10-14)13-5-7-15(8-6-13)25-20(28)16-3-1-2-4-17(16)21(25)29/h1-12,28-29H/b24-23+
InChIKeyUBWDPIVTNJBJOZ-WCWDXBQESA-N
XLogP3.87
TPSA117.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 53.87
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 N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide?
The IUPAC name of N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide (CID 162647180) is N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide.
What is the SMILES notation for N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide?
The canonical SMILES for N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide is O=C(/N=N/C(=O)c1ccc(-n2c(O)c3ccccc3c2O)cc1)c1ccncc1.
What is the InChIKey of N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide?
The InChIKey is UBWDPIVTNJBJOZ-WCWDXBQESA-N. The full InChI is InChI=1S/C21H14N4O4/c26-18(23-24-19(27)14-9-11-22-12-10-14)13-5-7-15(8-6-13)25-20(28)16-3-1-2-4-17(16)21(25)29/h1-12,28-29H/b24-23+.
What are the key properties of N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide?
N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide has a molecular weight of 386.37 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dihydroxyisoindol-2-yl)benzoyl]iminopyridine-4-carboxamide is sourced from PubChem (CID 162647180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).