6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide

C21H20N4O2 — CID 109118200

IUPAC6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)NCc3ccccc3C)nn2)cc1
InChIInChI=1S/C21H20N4O2/c1-14-5-3-4-6-17(14)13-22-21(27)19-11-12-20(25-24-19)23-18-9-7-16(8-10-18)15(2)26/h3-12H,13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyFJNWGBBMGNPVLQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.66
Rot. Bonds6

About 6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide

6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109118200) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
PubChem CID109118200
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)NCc3ccccc3C)nn2)cc1
InChIInChI=1S/C21H20N4O2/c1-14-5-3-4-6-17(14)13-22-21(27)19-11-12-20(25-24-19)23-18-9-7-16(8-10-18)15(2)26/h3-12H,13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyFJNWGBBMGNPVLQ-UHFFFAOYSA-N
XLogP3.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-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

5-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280053
6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
CID 109109344
N-[(2-fluorophenyl)methyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109119336
6-hydrazinyl-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 62237451
6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118178
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
6-(3-acetylanilino)-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109119776
N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
CID 109128126
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126778
6-chloro-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 54944461
N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109119334
6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109112095

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide (CID 109118200) is 6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide is CC(=O)c1ccc(Nc2ccc(C(=O)NCc3ccccc3C)nn2)cc1.
What is the InChIKey of 6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is FJNWGBBMGNPVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-5-3-4-6-17(14)13-22-21(27)19-11-12-20(25-24-19)23-18-9-7-16(8-10-18)15(2)26/h3-12H,13H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of 6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide?
6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109118200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).