N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C23H27N3O4 — CID 55579636

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)c(OC)c1
InChIInChI=1S/C23H27N3O4/c1-14-6-7-15(2)20(12-14)26-22(27)11-10-19(25-26)23(28)24-16(3)18-9-8-17(29-4)13-21(18)30-5/h6-9,12-13,16H,10-11H2,1-5H3,(H,24,28)
InChIKeyUWFSNSMVKMAJNH-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.68
Rot. Bonds6

About N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55579636) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55579636
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)c(OC)c1
InChIInChI=1S/C23H27N3O4/c1-14-6-7-15(2)20(12-14)26-22(27)11-10-19(25-26)23(28)24-16(3)18-9-8-17(29-4)13-21(18)30-5/h6-9,12-13,16H,10-11H2,1-5H3,(H,24,28)
InChIKeyUWFSNSMVKMAJNH-UHFFFAOYSA-N
XLogP3.68
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 78856979
1-(2,5-dimethylphenyl)-6-oxo-N-(1-pyridin-3-ylethyl)-4,5-dihydropyridazine-3-carboxamide
CID 51193079
1-(2,5-dimethylphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55586186
1-(2,5-dimethylphenyl)-N-[2-(2-methylpropoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60532904
1-(2,5-dimethylphenyl)-6-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-4,5-dihydropyridazine-3-carboxamide
CID 35227922
1-(2,5-dimethylphenyl)-N-[2-(4-fluorophenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 37363132
N-[(1S)-1-cyanobutyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 97097856
[(2R)-1-amino-1-oxopropan-2-yl] 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 41052013
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43020306
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51153065
2-(2,5-dimethylphenyl)-6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 46601357
N-[(1S)-1-cyclopropylethyl]-1-(2,5-dimethylphenyl)-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 97005499

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55579636) is N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is COc1ccc(C(C)NC(=O)C2=NN(c3cc(C)ccc3C)C(=O)CC2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is UWFSNSMVKMAJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-14-6-7-15(2)20(12-14)26-22(27)11-10-19(25-26)23(28)24-16(3)18-9-8-17(29-4)13-21(18)30-5/h6-9,12-13,16H,10-11H2,1-5H3,(H,24,28).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55579636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).