N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide

C23H26N4O — CID 109124516

IUPACN-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(NCCCc2ccccc2)nn1
InChIInChI=1S/C23H26N4O/c28-23(25-18-8-14-20-11-5-2-6-12-20)21-15-16-22(27-26-21)24-17-7-13-19-9-3-1-4-10-19/h1-6,9-12,15-16H,7-8,13-14,17-18H2,(H,24,27)(H,25,28)
InChIKeyYNZRRXMWCAPDDY-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.88
Rot. Bonds10

About N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide

N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide (PubChem CID 109124516) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
PubChem CID109124516
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(NCCCc2ccccc2)nn1
InChIInChI=1S/C23H26N4O/c28-23(25-18-8-14-20-11-5-2-6-12-20)21-15-16-22(27-26-21)24-17-7-13-19-9-3-1-4-10-19/h1-6,9-12,15-16H,7-8,13-14,17-18H2,(H,24,27)(H,25,28)
InChIKeyYNZRRXMWCAPDDY-UHFFFAOYSA-N
XLogP3.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113959
N-[2-(4-methoxyphenyl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109122514
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
N-[2-(cyclohexen-1-yl)ethyl]-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113652
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109120437
6-(2-phenylethylamino)pyridazine-3-carboxylic acid
CID 10332018
N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 152622333
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
N-[(4-methylphenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109118594
N-(3-cyanophenyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124566

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide (CID 109124516) is N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide is O=C(NCCCc1ccccc1)c1ccc(NCCCc2ccccc2)nn1.
What is the InChIKey of N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
The InChIKey is YNZRRXMWCAPDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(25-18-8-14-20-11-5-2-6-12-20)21-15-16-22(27-26-21)24-17-7-13-19-9-3-1-4-10-19/h1-6,9-12,15-16H,7-8,13-14,17-18H2,(H,24,27)(H,25,28).
What are the key properties of N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide?
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109124516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).