4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide

C21H22N4O2 — CID 113046923

IUPAC4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3C(C)C)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-14(2)17-6-4-5-7-18(17)22-19-12-13-20(25-24-19)23-21(26)15-8-10-16(27-3)11-9-15/h4-14H,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyYHZPQAACJPXCRQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.60
Rot. Bonds6

About 4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide

4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide (PubChem CID 113046923) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
PubChem CID113046923
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3C(C)C)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-14(2)17-6-4-5-7-18(17)22-19-12-13-20(25-24-19)23-21(26)15-8-10-16(27-3)11-9-15/h4-14H,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyYHZPQAACJPXCRQ-UHFFFAOYSA-N
XLogP4.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113050053
methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049352
2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046921
N-[6-(2-ethylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113046649
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049815
4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041179
2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide
CID 113046934
6-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109163030
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
4-methoxy-N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]benzamide
CID 46755792

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide (CID 113046923) is 4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccccc3C(C)C)nn2)cc1.
What is the InChIKey of 4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide?
The InChIKey is YHZPQAACJPXCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14(2)17-6-4-5-7-18(17)22-19-12-13-20(25-24-19)23-21(26)15-8-10-16(27-3)11-9-15/h4-14H,1-3H3,(H,22,24)(H,23,25,26).
What are the key properties of 4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide?
4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113046923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).