1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide

C22H23N3O3 — CID 51212377

IUPAC1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C22H23N3O3/c1-15-9-11-20(28-3)18(13-15)16(2)23-22(27)19-10-12-21(26)25(24-19)14-17-7-5-4-6-8-17/h4-13,16H,14H2,1-3H3,(H,23,27)
InChIKeyXBUDSGDADVZMAK-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.10
Rot. Bonds6

About 1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide

1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 51212377) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID51212377
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1C(C)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C22H23N3O3/c1-15-9-11-20(28-3)18(13-15)16(2)23-22(27)19-10-12-21(26)25(24-19)14-17-7-5-4-6-8-17/h4-13,16H,14H2,1-3H3,(H,23,27)
InChIKeyXBUDSGDADVZMAK-UHFFFAOYSA-N
XLogP3.10
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
CID 9262198
1-benzyl-N-(2-chloro-4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26253498
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9262899
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
(2R)-2-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]-4-methylpentanoic acid
CID 119364680
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 51143596
5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 167850440
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-[1-(2-methoxy-5-methylphenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 18269661

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide (CID 51212377) is 1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide is COc1ccc(C)cc1C(C)NC(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is XBUDSGDADVZMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-9-11-20(28-3)18(13-15)16(2)23-22(27)19-10-12-21(26)25(24-19)14-17-7-5-4-6-8-17/h4-13,16H,14H2,1-3H3,(H,23,27).
What are the key properties of 1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide?
1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51212377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).