N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide

C18H25N5O — CID 122320841

IUPACN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCCNc2cc(N(C)C)cnn2)c1
InChIInChI=1S/C18H25N5O/c1-14-5-4-6-15(11-14)7-8-18(24)20-10-9-19-17-12-16(23(2)3)13-21-22-17/h4-6,11-13H,7-10H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyILRKXQXGVTUFPP-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.01
Rot. Bonds8

About N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide (PubChem CID 122320841) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
PubChem CID122320841
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCCNc2cc(N(C)C)cnn2)c1
InChIInChI=1S/C18H25N5O/c1-14-5-4-6-15(11-14)7-8-18(24)20-10-9-19-17-12-16(23(2)3)13-21-22-17/h4-6,11-13H,7-10H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyILRKXQXGVTUFPP-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
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

3-(3-chloro-4-fluorophenyl)-N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]propanamide
CID 122320904
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
CID 122293663
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide
CID 122320774
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122320883
3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292805
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
N-[4-(N-methylanilino)butyl]-3-(3-methylphenyl)propanamide
CID 60566428
3-(3-methylphenyl)-N-(2-methylsulfonylethyl)propanamide
CID 47327011
3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
CID 122326910
N-(6-iodohexyl)-3-(3-methylphenyl)propanamide
CID 107848481

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide (CID 122320841) is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NCCNc2cc(N(C)C)cnn2)c1.
What is the InChIKey of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide?
The InChIKey is ILRKXQXGVTUFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-5-4-6-15(11-14)7-8-18(24)20-10-9-19-17-12-16(23(2)3)13-21-22-17/h4-6,11-13H,7-10H2,1-3H3,(H,19,22)(H,20,24).
What are the key properties of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide?
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 122320841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).