1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide

C23H26N4O3 — CID 112764484

IUPAC1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)N(C)C)c1
InChIInChI=1S/C23H26N4O3/c1-26(2)21(18-10-7-11-19(14-18)30-3)15-24-23(29)20-12-13-22(28)27(25-20)16-17-8-5-4-6-9-17/h4-14,21H,15-16H2,1-3H3,(H,24,29)
InChIKeyJPDJGOZDMKFBTF-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.33
Rot. Bonds8

About 1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide

1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 112764484) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID112764484
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)N(C)C)c1
InChIInChI=1S/C23H26N4O3/c1-26(2)21(18-10-7-11-19(14-18)30-3)15-24-23(29)20-12-13-22(28)27(25-20)16-17-8-5-4-6-9-17/h4-14,21H,15-16H2,1-3H3,(H,24,29)
InChIKeyJPDJGOZDMKFBTF-UHFFFAOYSA-N
XLogP2.33
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide
CID 112789918
1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 42916251
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 8795909
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 55337326
1-benzyl-N-[(1R)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 32821068
1-benzyl-N-[(1S)-1-(4-methoxyphenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 32821069
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 51150933
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 34963440
1-benzyl-6-oxo-N-(3-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 31484146

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide (CID 112764484) is 1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide is COc1cccc(C(CNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)N(C)C)c1.
What is the InChIKey of 1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is JPDJGOZDMKFBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-26(2)21(18-10-7-11-19(14-18)30-3)15-24-23(29)20-12-13-22(28)27(25-20)16-17-8-5-4-6-9-17/h4-14,21H,15-16H2,1-3H3,(H,24,29).
What are the key properties of 1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 112764484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).