N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide

C22H22N4O2 — CID 109128126

IUPACN-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
SMILESCCc1cccc(C)c1Nc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C22H22N4O2/c1-4-16-7-5-6-14(2)21(16)24-20-13-12-19(25-26-20)22(28)23-18-10-8-17(9-11-18)15(3)27/h5-13H,4H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyJOMUOTJJGYTPQN-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.55
Rot. Bonds6

About N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide

N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide (PubChem CID 109128126) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
PubChem CID109128126
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
SMILESCCc1cccc(C)c1Nc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C22H22N4O2/c1-4-16-7-5-6-14(2)21(16)24-20-13-12-19(25-26-20)22(28)23-18-10-8-17(9-11-18)15(3)27/h5-13H,4H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyJOMUOTJJGYTPQN-UHFFFAOYSA-N
XLogP4.55
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109128147
N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128294
methyl 4-[[6-[(2-ethyl-6-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128150
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126778
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
6-(4-acetylanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118200
N-(4-acetamidophenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109198611
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
N-(2-ethyl-6-methylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235210
N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127716
1-[4-[[6-(2-ethyl-6-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865488

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide (CID 109128126) is N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide is CCc1cccc(C)c1Nc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)nn1.
What is the InChIKey of N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide?
The InChIKey is JOMUOTJJGYTPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-4-16-7-5-6-14(2)21(16)24-20-13-12-19(25-26-20)22(28)23-18-10-8-17(9-11-18)15(3)27/h5-13H,4H2,1-3H3,(H,23,28)(H,24,26).
What are the key properties of N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide?
N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).