N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide

C17H22N4O2 — CID 109113959

IUPACN-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCCCc2ccccc2)nn1
InChIInChI=1S/C17H22N4O2/c1-23-13-12-19-17(22)15-9-10-16(21-20-15)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyCCXVMGCXGYHWAH-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.90
Rot. Bonds9

About N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide

N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide (PubChem CID 109113959) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
PubChem CID109113959
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCCCc2ccccc2)nn1
InChIInChI=1S/C17H22N4O2/c1-23-13-12-19-17(22)15-9-10-16(21-20-15)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyCCXVMGCXGYHWAH-UHFFFAOYSA-N
XLogP1.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.90
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-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514
N-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109113931
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121641
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113743
N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113787
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113652
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114295
methyl 3-[[6-(3-phenylpropylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109124556
5-(2-methoxyethylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109184071
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide (CID 109113959) is N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide is COCCNC(=O)c1ccc(NCCCc2ccccc2)nn1.
What is the InChIKey of N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The InChIKey is CCXVMGCXGYHWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-13-12-19-17(22)15-9-10-16(21-20-15)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109113959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).