1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C23H24N4O3 — CID 56534094

IUPAC1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C23H24N4O3/c1-2-30-20-11-9-19(10-12-20)26(16-6-15-24)23(29)21-13-14-22(28)27(25-21)17-18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-14,16-17H2,1H3
InChIKeyCGFRAHNWUQUSKL-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.51
Rot. Bonds8

About 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 56534094) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID56534094
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C23H24N4O3/c1-2-30-20-11-9-19(10-12-20)26(16-6-15-24)23(29)21-13-14-22(28)27(25-21)17-18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-14,16-17H2,1H3
InChIKeyCGFRAHNWUQUSKL-UHFFFAOYSA-N
XLogP3.51
TPSA86.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 56572502
1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide
CID 55739731
1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55737990
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
1-benzyl-6-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 55894256
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(1S,6R)-5-methyl-4-oxo-2,5-diazabicyclo[4.1.0]heptan-2-yl]acetamide
CID 166284624
N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 56534140
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 56534565
N-[(3-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55783925
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 56572529
N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(4-ethoxyphenyl)acetamide
CID 52621407
6-chloro-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 56572711

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 56534094) is 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCOc1ccc(N(CCC#N)C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1.
What is the InChIKey of 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is CGFRAHNWUQUSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-2-30-20-11-9-19(10-12-20)26(16-6-15-24)23(29)21-13-14-22(28)27(25-21)17-18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-14,16-17H2,1H3.
What are the key properties of 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 56534094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).