6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide

C22H23N5O2 — CID 109128147

IUPAC6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C22H23N5O2/c1-4-16-7-5-6-14(2)21(16)25-22(29)19-12-13-20(27-26-19)24-18-10-8-17(9-11-18)23-15(3)28/h5-13H,4H2,1-3H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyBEPSPDZHUJBXRU-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.30
Rot. Bonds6

About 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide

6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109128147) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
PubChem CID109128147
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C22H23N5O2/c1-4-16-7-5-6-14(2)21(16)25-22(29)19-12-13-20(27-26-19)24-18-10-8-17(9-11-18)23-15(3)28/h5-13H,4H2,1-3H3,(H,23,28)(H,24,27)(H,25,29)
InChIKeyBEPSPDZHUJBXRU-UHFFFAOYSA-N
XLogP4.30
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[6-[(2-ethyl-6-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128150
N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
CID 109128126
6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 109127942
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357545
N-(2-ethyl-6-methylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235210
6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
CID 109129904
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
N-(4-acetamidophenyl)-5-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109198611
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
N-(2-ethyl-6-methylphenyl)-6-(pentylamino)pyridazine-3-carboxamide
CID 109125388
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
5-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243693

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide (CID 109128147) is 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide is CCc1cccc(C)c1NC(=O)c1ccc(Nc2ccc(NC(C)=O)cc2)nn1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is BEPSPDZHUJBXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-4-16-7-5-6-14(2)21(16)25-22(29)19-12-13-20(27-26-19)24-18-10-8-17(9-11-18)23-15(3)28/h5-13H,4H2,1-3H3,(H,23,28)(H,24,27)(H,25,29).
What are the key properties of 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide?
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).