1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide

C23H18N4O3S — CID 31520736

IUPAC1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C23H18N4O3S/c28-21-12-11-19(26-27(21)15-16-6-2-1-3-7-16)22(29)24-17-8-4-9-18(14-17)25-23(30)20-10-5-13-31-20/h1-14H,15H2,(H,24,29)(H,25,30)
InChIKeyHSXCMUYTNAZNFT-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.86
Rot. Bonds6

About 1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide

1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide (PubChem CID 31520736) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is 1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide
PubChem CID31520736
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC Name1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C23H18N4O3S/c28-21-12-11-19(26-27(21)15-16-6-2-1-3-7-16)22(29)24-17-8-4-9-18(14-17)25-23(30)20-10-5-13-31-20/h1-14H,15H2,(H,24,29)(H,25,30)
InChIKeyHSXCMUYTNAZNFT-UHFFFAOYSA-N
XLogP3.86
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 26517474
1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146
1-benzyl-N-(3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161871
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 24677650
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-benzyl-N-dibenzofuran-2-yl-6-oxopyridazine-3-carboxamide
CID 2095361
N-[3-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 18532508
1-benzyl-N-(4-fluoro-3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161885
1-butyl-6-oxo-N-[3-(phenylcarbamoylamino)phenyl]pyridazine-3-carboxamide
CID 55515060
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide (CID 31520736) is 1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide is O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide?
The InChIKey is HSXCMUYTNAZNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c28-21-12-11-19(26-27(21)15-16-6-2-1-3-7-16)22(29)24-17-8-4-9-18(14-17)25-23(30)20-10-5-13-31-20/h1-14H,15H2,(H,24,29)(H,25,30).
What are the key properties of 1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide?
1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 31520736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).