1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide

C26H17N3O3 — CID 1026006

IUPAC1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O
InChIInChI=1S/C26H17N3O3/c30-24(28-23-12-6-7-15-27-23)18-13-14-20-21(16-18)26(32)29(25(20)31)22-11-5-4-10-19(22)17-8-2-1-3-9-17/h1-16H,(H,27,28,30)
InChIKeyNTCXNTGOQQOKCH-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.80
Rot. Bonds4

About 1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide

1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide (PubChem CID 1026006) has the molecular formula C26H17N3O3 and a molecular weight of 419.44 g/mol. Its IUPAC name is 1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide
PubChem CID1026006
Molecular FormulaC26H17N3O3
Molecular Weight419.44 g/mol
Exact Mass419.13
IUPAC Name1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O
InChIInChI=1S/C26H17N3O3/c30-24(28-23-12-6-7-15-27-23)18-13-14-20-21(16-18)26(32)29(25(20)31)22-11-5-4-10-19(22)17-8-2-1-3-9-17/h1-16H,(H,27,28,30)
InChIKeyNTCXNTGOQQOKCH-UHFFFAOYSA-N
XLogP4.80
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide?
The IUPAC name of 1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide (CID 1026006) is 1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide.
What is the SMILES notation for 1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide?
The canonical SMILES for 1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide is O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O.
What is the InChIKey of 1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide?
The InChIKey is NTCXNTGOQQOKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N3O3/c30-24(28-23-12-6-7-15-27-23)18-13-14-20-21(16-18)26(32)29(25(20)31)22-11-5-4-10-19(22)17-8-2-1-3-9-17/h1-16H,(H,27,28,30).
What are the key properties of 1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide?
1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide is sourced from PubChem (CID 1026006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).