1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide

C21H23N3O3 — CID 55739731

IUPAC1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C21H23N3O3/c1-23(14-15-27-18-10-6-3-7-11-18)21(26)19-12-13-20(25)24(22-19)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3
InChIKeyYXOMIGNXFIIBMH-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.70
Rot. Bonds7

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

1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55739731) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID55739731
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C21H23N3O3/c1-23(14-15-27-18-10-6-3-7-11-18)21(26)19-12-13-20(25)24(22-19)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3
InChIKeyYXOMIGNXFIIBMH-UHFFFAOYSA-N
XLogP2.70
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-(2-methylphenoxy)ethyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55773246
1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55737990
N,1-bis[(4-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55771101
1-benzyl-6-oxo-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 55894256
methyl 2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-[(4-chlorophenyl)methyl]amino]acetate
CID 55802571
1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 31795511
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 31285172
1-benzyl-N-[1-(3-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 86941799
2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-3-methylpentanoic acid
CID 119211584
6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 61042256
1-benzyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51953298
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide (CID 55739731) is 1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide is CN(CCOc1ccccc1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1.
What is the InChIKey of 1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is YXOMIGNXFIIBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-23(14-15-27-18-10-6-3-7-11-18)21(26)19-12-13-20(25)24(22-19)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3.
What are the key properties of 1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-6-oxo-N-(2-phenoxyethyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55739731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).