1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide

C24H17N3O3 — CID 2095361

IUPAC1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccc2oc3ccccc3c2c1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C24H17N3O3/c28-23-13-11-20(26-27(23)15-16-6-2-1-3-7-16)24(29)25-17-10-12-22-19(14-17)18-8-4-5-9-21(18)30-22/h1-14H,15H2,(H,25,29)
InChIKeyNMCAKCJDGXJFDD-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.44
Rot. Bonds4

About 1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide

1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide (PubChem CID 2095361) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide
PubChem CID2095361
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccc2oc3ccccc3c2c1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C24H17N3O3/c28-23-13-11-20(26-27(23)15-16-6-2-1-3-7-16)24(29)25-17-10-12-22-19(14-17)18-8-4-5-9-21(18)30-22/h1-14H,15H2,(H,25,29)
InChIKeyNMCAKCJDGXJFDD-UHFFFAOYSA-N
XLogP4.44
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102
1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 26517474
1-benzyl-5-chloro-3-methyl-N-(9-oxoxanthen-2-yl)pyrazole-4-carboxamide
CID 75398660
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
1-benzyl-N-(3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161871
1-benzyl-N-(4-fluoro-3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161885
1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide
CID 31520736
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
N-dibenzofuran-2-yl-5-methyl-1,2-oxazole-3-carboxamide
CID 17430004
1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 24677650
propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate
CID 24677548

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide (CID 2095361) is 1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide is O=C(Nc1ccc2oc3ccccc3c2c1)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide?
The InChIKey is NMCAKCJDGXJFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-23-13-11-20(26-27(23)15-16-6-2-1-3-7-16)24(29)25-17-10-12-22-19(14-17)18-8-4-5-9-21(18)30-22/h1-14H,15H2,(H,25,29).
What are the key properties of 1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide?
1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2095361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).