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

C21H22N4O — CID 113041016

IUPAC2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(NCc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C21H22N4O/c1-15-6-8-17(9-7-15)13-21(26)23-20-11-10-19(24-25-20)22-14-18-5-3-4-16(2)12-18/h3-12H,13-14H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyPVHXOMQAUMNTIZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.89
Rot. Bonds6

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

2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide (PubChem CID 113041016) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
PubChem CID113041016
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(NCc3cccc(C)c3)nn2)cc1
InChIInChI=1S/C21H22N4O/c1-15-6-8-17(9-7-15)13-21(26)23-20-11-10-19(24-25-20)22-14-18-5-3-4-16(2)12-18/h3-12H,13-14H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyPVHXOMQAUMNTIZ-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
CID 113040992
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011699
methyl N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]carbamate
CID 113041019
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
3-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041075
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113040689
2-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]propanamide
CID 113041063
2-(3-fluorophenyl)-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041483
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118261
N-(3-methylphenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073997
N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118309

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide (CID 113041016) is 2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide is Cc1ccc(CC(=O)Nc2ccc(NCc3cccc(C)c3)nn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide?
The InChIKey is PVHXOMQAUMNTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-6-8-17(9-7-15)13-21(26)23-20-11-10-19(24-25-20)22-14-18-5-3-4-16(2)12-18/h3-12H,13-14H2,1-2H3,(H,22,24)(H,23,25,26).
What are the key properties of 2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide?
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 3.89, 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-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide is sourced from PubChem (CID 113041016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).