2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide

C21H22N4O — CID 113041210

IUPAC2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(NC(C)c3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O/c1-15-8-10-17(11-9-15)14-21(26)23-20-13-12-19(24-25-20)22-16(2)18-6-4-3-5-7-18/h3-13,16H,14H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyDLMDRSGXAXROOJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.14
Rot. Bonds6

About 2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide

2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide (PubChem CID 113041210) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
PubChem CID113041210
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(NC(C)c3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N4O/c1-15-8-10-17(11-9-15)14-21(26)23-20-13-12-19(24-25-20)22-16(2)18-6-4-3-5-7-18/h3-13,16H,14H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyDLMDRSGXAXROOJ-UHFFFAOYSA-N
XLogP4.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide
CID 113041157
2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041197
N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118581
N-[6-(1-phenylethylamino)pyridazin-3-yl]pentanamide
CID 113041159
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041168
2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113050061
N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113046832
2-(4-chlorophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide
CID 113037948
2-(4-bromophenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]acetamide
CID 113037981
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide (CID 113041210) is 2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide is Cc1ccc(CC(=O)Nc2ccc(NC(C)c3ccccc3)nn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide?
The InChIKey is DLMDRSGXAXROOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-8-10-17(11-9-15)14-21(26)23-20-13-12-19(24-25-20)22-16(2)18-6-4-3-5-7-18/h3-13,16H,14H2,1-2H3,(H,22,24)(H,23,25,26).
What are the key properties of 2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide?
2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113041210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).