N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide

C23H26N4O2 — CID 109122514

IUPACN-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NCCCc3ccccc3)nn2)cc1
InChIInChI=1S/C23H26N4O2/c1-29-20-11-9-19(10-12-20)15-17-25-23(28)21-13-14-22(27-26-21)24-16-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-14H,5,8,15-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyDXHROZNGXXFYBZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.50
Rot. Bonds10

About N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide (PubChem CID 109122514) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
PubChem CID109122514
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(NCCCc3ccccc3)nn2)cc1
InChIInChI=1S/C23H26N4O2/c1-29-20-11-9-19(10-12-20)15-17-25-23(28)21-13-14-22(27-26-21)24-16-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-14H,5,8,15-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyDXHROZNGXXFYBZ-UHFFFAOYSA-N
XLogP3.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.50
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

6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121641
N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113959
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109122525
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122480
N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114105
N-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109113931
6-[benzyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109118946

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide (CID 109122514) is N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide is COc1ccc(CCNC(=O)c2ccc(NCCCc3ccccc3)nn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The InChIKey is DXHROZNGXXFYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-20-11-9-19(10-12-20)15-17-25-23(28)21-13-14-22(27-26-21)24-16-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-14H,5,8,15-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109122514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).