N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide

C13H12N4O — CID 116786865

IUPACN-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1cccnn1)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H12N4O/c18-13(16-12-2-1-5-15-17-12)9-3-4-10-7-14-8-11(10)6-9/h1-6,14H,7-8H2,(H,16,17,18)
InChIKeyCBVMKBJSLAUAPX-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.33
Rot. Bonds2

About N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide

N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 116786865) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID116786865
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(Nc1cccnn1)c1ccc2c(c1)CNC2
InChIInChI=1S/C13H12N4O/c18-13(16-12-2-1-5-15-17-12)9-3-4-10-7-14-8-11(10)6-9/h1-6,14H,7-8H2,(H,16,17,18)
InChIKeyCBVMKBJSLAUAPX-UHFFFAOYSA-N
XLogP1.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
N-pyridazin-3-yl-1H-indole-5-carboxamide
CID 115635745
N-(1H-imidazol-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998937
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
N-[2-(dimethylamino)-3-pyridinyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998325
N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997885
N-(2,6-difluorophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997882
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
CID 113238408
4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide
CID 115635769
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide
CID 21109039

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide (CID 116786865) is N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide is O=C(Nc1cccnn1)c1ccc2c(c1)CNC2.
What is the InChIKey of N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is CBVMKBJSLAUAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-13(16-12-2-1-5-15-17-12)9-3-4-10-7-14-8-11(10)6-9/h1-6,14H,7-8H2,(H,16,17,18).
What are the key properties of N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide?
N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 116786865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).