N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide

C22H25N5O2 — CID 109116087

IUPACN-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)nn1
InChIInChI=1S/C22H25N5O2/c1-27(2)16-6-15-23-22(28)20-13-14-21(26-25-20)24-17-9-11-19(12-10-17)29-18-7-4-3-5-8-18/h3-5,7-14H,6,15-16H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyWLCUCWJHKXTPOZ-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.69
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide

N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide (PubChem CID 109116087) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
PubChem CID109116087
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)nn1
InChIInChI=1S/C22H25N5O2/c1-27(2)16-6-15-23-22(28)20-13-14-21(26-25-20)24-17-9-11-19(12-10-17)29-18-7-4-3-5-8-18/h3-5,7-14H,6,15-16H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyWLCUCWJHKXTPOZ-UHFFFAOYSA-N
XLogP3.69
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109115485
6-anilino-N-butylpyridazine-3-carboxamide
CID 109110857
N-[3-(dimethylamino)propyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109116042
N-[2-(dimethylamino)ethyl]-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109115425
N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109366300
6-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115423
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
6-(3,4-dimethoxyanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115449
6-(1,3-benzodioxol-5-ylamino)-N-[3-(dimethylamino)propyl]pyridazine-3-carboxamide
CID 109116094
N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
CID 109110899
N-[3-(dimethylamino)propyl]-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109115961
6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122307

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide (CID 109116087) is N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide is CN(C)CCCNC(=O)c1ccc(Nc2ccc(Oc3ccccc3)cc2)nn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide?
The InChIKey is WLCUCWJHKXTPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-27(2)16-6-15-23-22(28)20-13-14-21(26-25-20)24-17-9-11-19(12-10-17)29-18-7-4-3-5-8-18/h3-5,7-14H,6,15-16H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide?
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109116087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).