1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide

C23H25N3O3 — CID 31795511

IUPAC1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C23H25N3O3/c1-17-13-18(2)15-20(14-17)29-12-11-25(3)23(28)21-9-10-22(27)26(24-21)16-19-7-5-4-6-8-19/h4-10,13-15H,11-12,16H2,1-3H3
InChIKeyGAORJHDNLQAUIS-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.06
Rot. Bonds7

About 1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide

1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 31795511) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide
PubChem CID31795511
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1
InChIInChI=1S/C23H25N3O3/c1-17-13-18(2)15-20(14-17)29-12-11-25(3)23(28)21-9-10-22(27)26(24-21)16-19-7-5-4-6-8-19/h4-10,13-15H,11-12,16H2,1-3H3
InChIKeyGAORJHDNLQAUIS-UHFFFAOYSA-N
XLogP3.06
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 111695210
1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 134058913
1-(2-methoxyethyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 31641773
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 51143596
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(2-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 55650229
1-benzyl-N-(2-chloro-4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26253498
1-benzyl-N-(1,1-difluoropropan-2-yl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 166303082
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 55430363
1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
CID 51287190
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 51241769
1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide
CID 55739731

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide (CID 31795511) is 1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide is Cc1cc(C)cc(OCCN(C)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)c1.
What is the InChIKey of 1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is GAORJHDNLQAUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-13-18(2)15-20(14-17)29-12-11-25(3)23(28)21-9-10-22(27)26(24-21)16-19-7-5-4-6-8-19/h4-10,13-15H,11-12,16H2,1-3H3.
What are the key properties of 1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 31795511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).