N-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide

C23H17N3O4 — CID 102129763

IUPACN-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide
SMILESO=C(NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccn1
InChIInChI=1S/C23H17N3O4/c27-20(18-12-6-7-13-24-18)25-21(28)19(14-15-8-2-1-3-9-15)26-22(29)16-10-4-5-11-17(16)23(26)30/h1-13,19H,14H2,(H,25,27,28)
InChIKeyBLPXYURIAPLAGN-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide

N-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide (PubChem CID 102129763) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide
PubChem CID102129763
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC NameN-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide
SMILESO=C(NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccn1
InChIInChI=1S/C23H17N3O4/c27-20(18-12-6-7-13-24-18)25-21(28)19(14-15-8-2-1-3-9-15)26-22(29)16-10-4-5-11-17(16)23(26)30/h1-13,19H,14H2,(H,25,27,28)
InChIKeyBLPXYURIAPLAGN-UHFFFAOYSA-N
XLogP2.25
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.25
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 N-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide (CID 102129763) is N-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide is O=C(NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccn1.
What is the InChIKey of N-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide?
The InChIKey is BLPXYURIAPLAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4/c27-20(18-12-6-7-13-24-18)25-21(28)19(14-15-8-2-1-3-9-15)26-22(29)16-10-4-5-11-17(16)23(26)30/h1-13,19H,14H2,(H,25,27,28).
What are the key properties of N-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide?
N-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]pyridine-2-carboxamide is sourced from PubChem (CID 102129763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).