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

C21H22N4O2 — CID 113046921

IUPAC2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2ccccc2C(C)C)nn1
InChIInChI=1S/C21H22N4O2/c1-14(2)15-8-4-6-10-17(15)22-19-12-13-20(25-24-19)23-21(26)16-9-5-7-11-18(16)27-3/h4-14H,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyZYMFEYJGRVILQI-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.60
Rot. Bonds6

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

2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide (PubChem CID 113046921) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
PubChem CID113046921
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Nc2ccccc2C(C)C)nn1
InChIInChI=1S/C21H22N4O2/c1-14(2)15-8-4-6-10-17(15)22-19-12-13-20(25-24-19)23-21(26)16-9-5-7-11-18(16)27-3/h4-14H,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyZYMFEYJGRVILQI-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

2-(2-methoxyphenoxy)-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]acetamide
CID 113046934
4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046923
2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048928
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113047536
N-[6-(3,5-dichloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113050853
methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049413
2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide
CID 113019839
2-chloro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048567
N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048089
[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 720313
2-methoxy-N-(1-methyltriazol-4-yl)benzamide
CID 112535372
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048623

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide (CID 113046921) is 2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide is COc1ccccc1C(=O)Nc1ccc(Nc2ccccc2C(C)C)nn1.
What is the InChIKey of 2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide?
The InChIKey is ZYMFEYJGRVILQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14(2)15-8-4-6-10-17(15)22-19-12-13-20(25-24-19)23-21(26)16-9-5-7-11-18(16)27-3/h4-14H,1-3H3,(H,22,24)(H,23,25,26).
What are the key properties of 2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide?
2-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 2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113046921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).