N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide

C22H23N5O2 — CID 109128262

IUPACN-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Nc3c(C)cc(C)cc3C)nn2)cc1
InChIInChI=1S/C22H23N5O2/c1-13-11-14(2)21(15(3)12-13)25-20-10-9-19(26-27-20)22(29)24-18-7-5-17(6-8-18)23-16(4)28/h5-12H,1-4H3,(H,23,28)(H,24,29)(H,25,27)
InChIKeyKVMGXGPHWBWZFD-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.36
Rot. Bonds5

About N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide

N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide (PubChem CID 109128262) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide
PubChem CID109128262
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Nc3c(C)cc(C)cc3C)nn2)cc1
InChIInChI=1S/C22H23N5O2/c1-13-11-14(2)21(15(3)12-13)25-20-10-9-19(26-27-20)22(29)24-18-7-5-17(6-8-18)23-16(4)28/h5-12H,1-4H3,(H,23,28)(H,24,29)(H,25,27)
InChIKeyKVMGXGPHWBWZFD-UHFFFAOYSA-N
XLogP4.36
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127716
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109128286
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109128147
6-(methylamino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 62165036

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide (CID 109128262) is N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(Nc3c(C)cc(C)cc3C)nn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide?
The InChIKey is KVMGXGPHWBWZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-11-14(2)21(15(3)12-13)25-20-10-9-19(26-27-20)22(29)24-18-7-5-17(6-8-18)23-16(4)28/h5-12H,1-4H3,(H,23,28)(H,24,29)(H,25,27).
What are the key properties of N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide?
N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).