4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide

C21H22N4O2 — CID 113048626

IUPAC4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccccc3OC(C)C)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-14(2)27-18-7-5-4-6-17(18)22-19-12-13-20(25-24-19)23-21(26)16-10-8-15(3)9-11-16/h4-14H,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyBSOJGYJVUXERLQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.57
Rot. Bonds6

About 4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide

4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide (PubChem CID 113048626) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
PubChem CID113048626
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccccc3OC(C)C)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-14(2)27-18-7-5-4-6-17(18)22-19-12-13-20(25-24-19)23-21(26)16-10-8-15(3)9-11-16/h4-14H,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyBSOJGYJVUXERLQ-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048623
3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048646
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113048614
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide
CID 113048612
4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045599
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048618
6-(2-methoxy-5-methylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109164204
N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045593
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide
CID 109118892
1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049370
4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046923

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide (CID 113048626) is 4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide is Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3OC(C)C)nn2)cc1.
What is the InChIKey of 4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide?
The InChIKey is BSOJGYJVUXERLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14(2)27-18-7-5-4-6-17(18)22-19-12-13-20(25-24-19)23-21(26)16-10-8-15(3)9-11-16/h4-14H,1-3H3,(H,22,24)(H,23,25,26).
What are the key properties of 4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide?
4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113048626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).