N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C22H25N3O4 — CID 18196785

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C22H25N3O4/c1-4-24(15-16-10-12-19(28-2)20(14-16)29-3)22(27)18-11-13-21(26)25(23-18)17-8-6-5-7-9-17/h5-10,12,14H,4,11,13,15H2,1-3H3
InChIKeyKPFISBGLLRTSKL-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.24
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 18196785) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID18196785
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C22H25N3O4/c1-4-24(15-16-10-12-19(28-2)20(14-16)29-3)22(27)18-11-13-21(26)25(23-18)17-8-6-5-7-9-17/h5-10,12,14H,4,11,13,15H2,1-3H3
InChIKeyKPFISBGLLRTSKL-UHFFFAOYSA-N
XLogP3.24
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18192659
N-(2-methoxyphenyl)-N-methyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 60533692
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34468319
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 52583608
2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341526
2-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)-propylamino]acetic acid
CID 119204717
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3992311
1-(4-bromophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4283336
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-pyrrol-1-ylbenzamide
CID 31443168
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 146129495
1-[(3,4-dimethoxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563822

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 18196785) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is KPFISBGLLRTSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-4-24(15-16-10-12-19(28-2)20(14-16)29-3)22(27)18-11-13-21(26)25(23-18)17-8-6-5-7-9-17/h5-10,12,14H,4,11,13,15H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 18196785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).