N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide

C22H31N3O4 — CID 55332644

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide
SMILESCCCOc1ccc(CN(CCC)C(=O)c2ccc(=O)n(CCC)n2)cc1OC
InChIInChI=1S/C22H31N3O4/c1-5-12-24(22(27)18-9-11-21(26)25(23-18)13-6-2)16-17-8-10-19(29-14-7-3)20(15-17)28-4/h8-11,15H,5-7,12-14,16H2,1-4H3
InChIKeyPKQQOHIQAPDIFE-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.50
Rot. Bonds11

About N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide (PubChem CID 55332644) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide
PubChem CID55332644
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide
SMILESCCCOc1ccc(CN(CCC)C(=O)c2ccc(=O)n(CCC)n2)cc1OC
InChIInChI=1S/C22H31N3O4/c1-5-12-24(22(27)18-9-11-21(26)25(23-18)13-6-2)16-17-8-10-19(29-14-7-3)20(15-17)28-4/h8-11,15H,5-7,12-14,16H2,1-4H3
InChIKeyPKQQOHIQAPDIFE-UHFFFAOYSA-N
XLogP3.50
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-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-[(3-ethoxy-4-propoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)-N-propylpyridazine-3-carboxamide
CID 55429841
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
CID 55875216
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide
CID 55332708
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide
CID 55332539
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
N-benzyl-N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 110886514
(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
CID 119268690
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propyl-2-(trifluoromethylsulfanyl)acetamide
CID 55666830
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080743
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide
CID 55874316

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide (CID 55332644) is N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide is CCCOc1ccc(CN(CCC)C(=O)c2ccc(=O)n(CCC)n2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide?
The InChIKey is PKQQOHIQAPDIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-5-12-24(22(27)18-9-11-21(26)25(23-18)13-6-2)16-17-8-10-19(29-14-7-3)20(15-17)28-4/h8-11,15H,5-7,12-14,16H2,1-4H3.
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.50, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-6-oxo-N,1-dipropylpyridazine-3-carboxamide is sourced from PubChem (CID 55332644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).