1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide

C26H22N4O3 — CID 24677650

IUPAC1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C26H22N4O3/c1-18-8-7-11-20(16-18)27-25(32)21-12-5-6-13-22(21)28-26(33)23-14-15-24(31)30(29-23)17-19-9-3-2-4-10-19/h2-16H,17H2,1H3,(H,27,32)(H,28,33)
InChIKeyUEXRQNWHBSNTPM-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.10
Rot. Bonds6

About 1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide

1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 24677650) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID24677650
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C26H22N4O3/c1-18-8-7-11-20(16-18)27-25(32)21-12-5-6-13-22(21)28-26(33)23-14-15-24(31)30(29-23)17-19-9-3-2-4-10-19/h2-16H,17H2,1H3,(H,27,32)(H,28,33)
InChIKeyUEXRQNWHBSNTPM-UHFFFAOYSA-N
XLogP4.10
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(3-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 26517474
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662
1-benzyl-N-[3-(hydroxymethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 110877102
1-benzyl-N-(2-chloro-4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26253498
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146
1-benzyl-N-(2-iodophenyl)-6-oxopyridazine-3-carboxamide
CID 42993626
1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 55429869
1-benzyl-N-(3-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 42161871
1-benzyl-6-oxo-N-[3-(thiophene-2-carbonylamino)phenyl]pyridazine-3-carboxamide
CID 31520736
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide (CID 24677650) is 1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1.
What is the InChIKey of 1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is UEXRQNWHBSNTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-18-8-7-11-20(16-18)27-25(32)21-12-5-6-13-22(21)28-26(33)23-14-15-24(31)30(29-23)17-19-9-3-2-4-10-19/h2-16H,17H2,1H3,(H,27,32)(H,28,33).
What are the key properties of 1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 438.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 24677650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).