N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide

C20H16N4O — CID 89158329

IUPACN-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide
SMILESNc1ccc(-c2ccncc2)cc1NC(=O)n1cc2ccccc2c1
InChIInChI=1S/C20H16N4O/c21-18-6-5-15(14-7-9-22-10-8-14)11-19(18)23-20(25)24-12-16-3-1-2-4-17(16)13-24/h1-13H,21H2,(H,23,25)
InChIKeyBDSKKDAZRIKUNY-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.37
Rot. Bonds2

About N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide

N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide (PubChem CID 89158329) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide
PubChem CID89158329
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide
SMILESNc1ccc(-c2ccncc2)cc1NC(=O)n1cc2ccccc2c1
InChIInChI=1S/C20H16N4O/c21-18-6-5-15(14-7-9-22-10-8-14)11-19(18)23-20(25)24-12-16-3-1-2-4-17(16)13-24/h1-13H,21H2,(H,23,25)
InChIKeyBDSKKDAZRIKUNY-UHFFFAOYSA-N
XLogP4.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide?
The IUPAC name of N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide (CID 89158329) is N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide?
The canonical SMILES for N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide is Nc1ccc(-c2ccncc2)cc1NC(=O)n1cc2ccccc2c1.
What is the InChIKey of N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide?
The InChIKey is BDSKKDAZRIKUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c21-18-6-5-15(14-7-9-22-10-8-14)11-19(18)23-20(25)24-12-16-3-1-2-4-17(16)13-24/h1-13H,21H2,(H,23,25).
What are the key properties of N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide?
N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide is sourced from PubChem (CID 89158329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).