N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide

C22H18N4O3 — CID 167856964

IUPACN-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1CN1C(=O)CCC1=O)c1cncc(-c2ccccn2)c1
InChIInChI=1S/C22H18N4O3/c27-20-8-9-21(28)26(20)14-15-5-1-2-7-19(15)25-22(29)17-11-16(12-23-13-17)18-6-3-4-10-24-18/h1-7,10-13H,8-9,14H2,(H,25,29)
InChIKeyFRYBYBWUMJYULF-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.04
Rot. Bonds5

About N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide

N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 167856964) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide
PubChem CID167856964
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1CN1C(=O)CCC1=O)c1cncc(-c2ccccn2)c1
InChIInChI=1S/C22H18N4O3/c27-20-8-9-21(28)26(20)14-15-5-1-2-7-19(15)25-22(29)17-11-16(12-23-13-17)18-6-3-4-10-24-18/h1-7,10-13H,8-9,14H2,(H,25,29)
InChIKeyFRYBYBWUMJYULF-UHFFFAOYSA-N
XLogP3.04
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide (CID 167856964) is N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide is O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1cncc(-c2ccccn2)c1.
What is the InChIKey of N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is FRYBYBWUMJYULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-20-8-9-21(28)26(20)14-15-5-1-2-7-19(15)25-22(29)17-11-16(12-23-13-17)18-6-3-4-10-24-18/h1-7,10-13H,8-9,14H2,(H,25,29).
What are the key properties of N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide?
N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 167856964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).