N-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide

C14H9N3O3 — CID 872783

IUPACN-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1ccncc1
InChIInChI=1S/C14H9N3O3/c18-12(9-5-7-15-8-6-9)16-17-13(19)10-3-1-2-4-11(10)14(17)20/h1-8H,(H,16,18)
InChIKeyWVDRNFXMKIJOMO-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.02
Rot. Bonds2

About N-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide

N-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide (PubChem CID 872783) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide
PubChem CID872783
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC NameN-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide
SMILESO=C(NN1C(=O)c2ccccc2C1=O)c1ccncc1
InChIInChI=1S/C14H9N3O3/c18-12(9-5-7-15-8-6-9)16-17-13(19)10-3-1-2-4-11(10)14(17)20/h1-8H,(H,16,18)
InChIKeyWVDRNFXMKIJOMO-UHFFFAOYSA-N
XLogP1.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.02
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 N-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide (CID 872783) is N-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide is O=C(NN1C(=O)c2ccccc2C1=O)c1ccncc1.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide?
The InChIKey is WVDRNFXMKIJOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-12(9-5-7-15-8-6-9)16-17-13(19)10-3-1-2-4-11(10)14(17)20/h1-8H,(H,16,18).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide?
N-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide has a molecular weight of 267.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 872783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).