2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide

C22H24N4O2 — CID 113046976

IUPAC2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3ccc(C(C)C)cc3)nn2)cc1
InChIInChI=1S/C22H24N4O2/c1-15(2)17-6-8-18(9-7-17)23-20-12-13-21(26-25-20)24-22(27)14-16-4-10-19(28-3)11-5-16/h4-13,15H,14H2,1-3H3,(H,23,25)(H,24,26,27)
InChIKeyKCJILITVTXXCQB-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.53
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide

2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide (PubChem CID 113046976) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide
PubChem CID113046976
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3ccc(C(C)C)cc3)nn2)cc1
InChIInChI=1S/C22H24N4O2/c1-15(2)17-6-8-18(9-7-17)23-20-12-13-21(26-25-20)24-22(27)14-16-4-10-19(28-3)11-5-16/h4-13,15H,14H2,1-3H3,(H,23,25)(H,24,26,27)
InChIKeyKCJILITVTXXCQB-UHFFFAOYSA-N
XLogP4.53
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113049153
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048339
2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide
CID 113048284
N-[6-(4-methoxyanilino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113048355
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113046657
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
2-(4-methoxyphenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037821
methyl 4-[[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049499
2-(4-methoxyphenyl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990366
N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128208
N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108947063

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide (CID 113046976) is 2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3ccc(C(C)C)cc3)nn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide?
The InChIKey is KCJILITVTXXCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(2)17-6-8-18(9-7-17)23-20-12-13-21(26-25-20)24-22(27)14-16-4-10-19(28-3)11-5-16/h4-13,15H,14H2,1-3H3,(H,23,25)(H,24,26,27).
What are the key properties of 2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113046976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).