N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide

C18H25N5O — CID 109115961

IUPACN-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)NCCCN(C)C)nn1)c1ccccc1
InChIInChI=1S/C18H25N5O/c1-14(15-8-5-4-6-9-15)20-17-11-10-16(21-22-17)18(24)19-12-7-13-23(2)3/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,19,24)(H,20,22)
InChIKeyKLPLKFTUAUWWPM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.33
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide

N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide (PubChem CID 109115961) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
PubChem CID109115961
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)NCCCN(C)C)nn1)c1ccccc1
InChIInChI=1S/C18H25N5O/c1-14(15-8-5-4-6-9-15)20-17-11-10-16(21-22-17)18(24)19-12-7-13-23(2)3/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,19,24)(H,20,22)
InChIKeyKLPLKFTUAUWWPM-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

N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913
N-[3-(dimethylamino)propyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109116007
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-[(4-methylphenyl)methyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118581
N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118695
N-[2-(dimethylamino)ethyl]-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109344241
N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109116042
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109116087
6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111167
N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
CID 110705198
6-[(2-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109115965
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridazine-3-carboxamide
CID 106050253

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide (CID 109115961) is N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide is CC(Nc1ccc(C(=O)NCCCN(C)C)nn1)c1ccccc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide?
The InChIKey is KLPLKFTUAUWWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(15-8-5-4-6-9-15)20-17-11-10-16(21-22-17)18(24)19-12-7-13-23(2)3/h4-6,8-11,14H,7,12-13H2,1-3H3,(H,19,24)(H,20,22).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide 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-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109115961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).