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

C18H25N5O — CID 113040148

IUPACN-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(NCCCN(C)C)nn2)cc1
InChIInChI=1S/C18H25N5O/c1-14-5-7-15(8-6-14)13-18(24)20-17-10-9-16(21-22-17)19-11-4-12-23(2)3/h5-10H,4,11-13H2,1-3H3,(H,19,21)(H,20,22,24)
InChIKeyXPUKADXVNOUJOV-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.33
Rot. Bonds8

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

N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide (PubChem CID 113040148) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
PubChem CID113040148
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(NCCCN(C)C)nn2)cc1
InChIInChI=1S/C18H25N5O/c1-14-5-7-15(8-6-14)13-18(24)20-17-10-9-16(21-22-17)19-11-4-12-23(2)3/h5-10H,4,11-13H2,1-3H3,(H,19,21)(H,20,22,24)
InChIKeyXPUKADXVNOUJOV-UHFFFAOYSA-N
XLogP2.33
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039920
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
N-[6-[2-(2-fluorophenyl)ethylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113042536
2-(4-chlorophenyl)-N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]acetamide
CID 113010953
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039881
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041016
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113039942
3,4-dichloro-N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]benzamide
CID 113040114
2-(3-bromophenyl)-N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039952

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide (CID 113040148) is N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2ccc(NCCCN(C)C)nn2)cc1.
What is the InChIKey of N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is XPUKADXVNOUJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-5-7-15(8-6-14)13-18(24)20-17-10-9-16(21-22-17)19-11-4-12-23(2)3/h5-10H,4,11-13H2,1-3H3,(H,19,21)(H,20,22,24).
What are the key properties of N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113040148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).