N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C22H31N3O3 — CID 46549927

IUPACN-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCCCCCCCCCNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C22H31N3O3/c1-2-3-4-5-6-7-11-16-23-22(27)20-14-15-21(26)25(24-20)17-18-28-19-12-9-8-10-13-19/h8-10,12-15H,2-7,11,16-18H2,1H3,(H,23,27)
InChIKeyVTQKVZNLBRKCKA-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.80
Rot. Bonds13

About N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 46549927) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID46549927
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCCCCCCCCCNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C22H31N3O3/c1-2-3-4-5-6-7-11-16-23-22(27)20-14-15-21(26)25(24-20)17-18-28-19-12-9-8-10-13-19/h8-10,12-15H,2-7,11,16-18H2,1H3,(H,23,27)
InChIKeyVTQKVZNLBRKCKA-UHFFFAOYSA-N
XLogP3.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-[(3-butoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55749505
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 37430350
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 56578100
6-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 49395200
1-butyl-6-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyridazine-3-carboxamide
CID 55803508

Frequently Asked Questions

What is the IUPAC name of N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 46549927) is N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is CCCCCCCCCNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is VTQKVZNLBRKCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-2-3-4-5-6-7-11-16-23-22(27)20-14-15-21(26)25(24-20)17-18-28-19-12-9-8-10-13-19/h8-10,12-15H,2-7,11,16-18H2,1H3,(H,23,27).
What are the key properties of N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.80, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 46549927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).