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

C20H20N4O2 — CID 113048623

IUPACN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
SMILESCC(C)Oc1ccccc1Nc1ccc(NC(=O)c2ccccc2)nn1
InChIInChI=1S/C20H20N4O2/c1-14(2)26-17-11-7-6-10-16(17)21-18-12-13-19(24-23-18)22-20(25)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyORXLKRCJNKOQIZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.26
Rot. Bonds6

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

N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide (PubChem CID 113048623) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
PubChem CID113048623
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
SMILESCC(C)Oc1ccccc1Nc1ccc(NC(=O)c2ccccc2)nn1
InChIInChI=1S/C20H20N4O2/c1-14(2)26-17-11-7-6-10-16(17)21-18-12-13-19(24-23-18)22-20(25)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyORXLKRCJNKOQIZ-UHFFFAOYSA-N
XLogP4.26
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048626
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
N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045593
N-(1-phenylethyl)-6-(2-propan-2-yloxyanilino)pyridazine-3-carboxamide
CID 109118892
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048618
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034520
6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 82488459
3-methoxy-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034507
4-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046923

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide?
The IUPAC name of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide (CID 113048623) is N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide is CC(C)Oc1ccccc1Nc1ccc(NC(=O)c2ccccc2)nn1.
What is the InChIKey of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide?
The InChIKey is ORXLKRCJNKOQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(2)26-17-11-7-6-10-16(17)21-18-12-13-19(24-23-18)22-20(25)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide?
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113048623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).