N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide

C20H18N4O3 — CID 113049142

IUPACN-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(C(C)=O)cc3)nn2)cc1
InChIInChI=1S/C20H18N4O3/c1-13(25)14-3-7-16(8-4-14)21-18-11-12-19(24-23-18)22-20(26)15-5-9-17(27-2)10-6-15/h3-12H,1-2H3,(H,21,23)(H,22,24,26)
InChIKeyCECBCWGWVLLWCK-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.68
Rot. Bonds6

About N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide

N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide (PubChem CID 113049142) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
PubChem CID113049142
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccc(C(C)=O)cc3)nn2)cc1
InChIInChI=1S/C20H18N4O3/c1-13(25)14-3-7-16(8-4-14)21-18-11-12-19(24-23-18)22-20(26)15-5-9-17(27-2)10-6-15/h3-12H,1-2H3,(H,21,23)(H,22,24,26)
InChIKeyCECBCWGWVLLWCK-UHFFFAOYSA-N
XLogP3.68
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113049153
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591
methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
CID 113049175
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113047832
2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
CID 113048302
N-[6-(4-methoxyanilino)pyridazin-3-yl]-2-methylbenzamide
CID 113048288
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
4-methoxy-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051725
4-methoxy-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048972
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide (CID 113049142) is N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccc(C(C)=O)cc3)nn2)cc1.
What is the InChIKey of N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide?
The InChIKey is CECBCWGWVLLWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-13(25)14-3-7-16(8-4-14)21-18-11-12-19(24-23-18)22-20(26)15-5-9-17(27-2)10-6-15/h3-12H,1-2H3,(H,21,23)(H,22,24,26).
What are the key properties of N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide?
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide has a molecular weight of 362.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 113049142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).