1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide

C19H12N4O3 — CID 628833

IUPAC1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O
InChIInChI=1S/C19H12N4O3/c24-17(22-15-5-1-3-9-20-15)12-7-8-13-14(11-12)19(26)23(18(13)25)16-6-2-4-10-21-16/h1-11H,(H,20,22,24)
InChIKeyPXWGNYGGHRYKRD-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.53
Rot. Bonds3

About 1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide

1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide (PubChem CID 628833) has the molecular formula C19H12N4O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide
PubChem CID628833
Molecular FormulaC19H12N4O3
Molecular Weight344.33 g/mol
Exact Mass344.09
IUPAC Name1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O
InChIInChI=1S/C19H12N4O3/c24-17(22-15-5-1-3-9-20-15)12-7-8-13-14(11-12)19(26)23(18(13)25)16-6-2-4-10-21-16/h1-11H,(H,20,22,24)
InChIKeyPXWGNYGGHRYKRD-UHFFFAOYSA-N
XLogP2.53
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide?
The IUPAC name of 1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide (CID 628833) is 1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide.
What is the SMILES notation for 1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide?
The canonical SMILES for 1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide is O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O.
What is the InChIKey of 1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide?
The InChIKey is PXWGNYGGHRYKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O3/c24-17(22-15-5-1-3-9-20-15)12-7-8-13-14(11-12)19(26)23(18(13)25)16-6-2-4-10-21-16/h1-11H,(H,20,22,24).
What are the key properties of 1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide?
1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-N,2-dipyridin-2-ylisoindole-5-carboxamide is sourced from PubChem (CID 628833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).