5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one

C26H22N4O2 — CID 67193559

IUPAC5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one
SMILESNc1nccc2ccc(C3=CCN(C(=O)c4ccc(-c5ccc(=O)[nH]c5)cc4)CC3)cc12
InChIInChI=1S/C26H22N4O2/c27-25-23-15-21(6-3-19(23)9-12-28-25)18-10-13-30(14-11-18)26(32)20-4-1-17(2-5-20)22-7-8-24(31)29-16-22/h1-10,12,15-16H,11,13-14H2,(H2,27,28)(H,29,31)
InChIKeyGUCOJXPOLZCFLG-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.10
Rot. Bonds3

About 5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one

5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one (PubChem CID 67193559) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one
PubChem CID67193559
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one
SMILESNc1nccc2ccc(C3=CCN(C(=O)c4ccc(-c5ccc(=O)[nH]c5)cc4)CC3)cc12
InChIInChI=1S/C26H22N4O2/c27-25-23-15-21(6-3-19(23)9-12-28-25)18-10-13-30(14-11-18)26(32)20-4-1-17(2-5-20)22-7-8-24(31)29-16-22/h1-10,12,15-16H,11,13-14H2,(H2,27,28)(H,29,31)
InChIKeyGUCOJXPOLZCFLG-UHFFFAOYSA-N
XLogP4.10
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one 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 5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one (CID 67193559) is 5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one is Nc1nccc2ccc(C3=CCN(C(=O)c4ccc(-c5ccc(=O)[nH]c5)cc4)CC3)cc12.
What is the InChIKey of 5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one?
The InChIKey is GUCOJXPOLZCFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c27-25-23-15-21(6-3-19(23)9-12-28-25)18-10-13-30(14-11-18)26(32)20-4-1-17(2-5-20)22-7-8-24(31)29-16-22/h1-10,12,15-16H,11,13-14H2,(H2,27,28)(H,29,31).
What are the key properties of 5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one?
5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one has a molecular weight of 422.49 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(1-aminoisoquinolin-7-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 67193559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).