N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide

C22H25N3O4 — CID 2024588

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
SMILESCOc1ccc(CCNC(=O)C2=CCC(=O)N(c3cccc(C)c3)N2)cc1OC
InChIInChI=1S/C22H25N3O4/c1-15-5-4-6-17(13-15)25-21(26)10-8-18(24-25)22(27)23-12-11-16-7-9-19(28-2)20(14-16)29-3/h4-9,13-14,24H,10-12H2,1-3H3,(H,23,27)
InChIKeyLBUWFDCJEOTRNN-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.50
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide (PubChem CID 2024588) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
PubChem CID2024588
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
SMILESCOc1ccc(CCNC(=O)C2=CCC(=O)N(c3cccc(C)c3)N2)cc1OC
InChIInChI=1S/C22H25N3O4/c1-15-5-4-6-17(13-15)25-21(26)10-8-18(24-25)22(27)23-12-11-16-7-9-19(28-2)20(14-16)29-3/h4-9,13-14,24H,10-12H2,1-3H3,(H,23,27)
InChIKeyLBUWFDCJEOTRNN-UHFFFAOYSA-N
XLogP2.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
CID 2019625
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758331
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide
CID 4301640
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]-3-methylbenzamide
CID 17359975
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 4863732
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide
CID 4988354
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 43813806
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3992311
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185970
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-hydroxy-1-(3-methylphenyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135648213
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36746054
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide (CID 2024588) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide is COc1ccc(CCNC(=O)C2=CCC(=O)N(c3cccc(C)c3)N2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
The InChIKey is LBUWFDCJEOTRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15-5-4-6-17(13-15)25-21(26)10-8-18(24-25)22(27)23-12-11-16-7-9-19(28-2)20(14-16)29-3/h4-9,13-14,24H,10-12H2,1-3H3,(H,23,27).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide is sourced from PubChem (CID 2024588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).