N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide

C25H21N3O3 — CID 140623694

IUPACN-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide
SMILESCNC(=O)c1cccc(-c2cc(=O)n(C)nc2-c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C25H21N3O3/c1-26-25(30)18-10-8-9-17(15-18)21-16-23(29)28(2)27-24(21)20-13-6-7-14-22(20)31-19-11-4-3-5-12-19/h3-16H,1-2H3,(H,26,30)
InChIKeyVCSUNHZGOCWUIO-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.27
Rot. Bonds5

About N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide

N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide (PubChem CID 140623694) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide
PubChem CID140623694
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide
SMILESCNC(=O)c1cccc(-c2cc(=O)n(C)nc2-c2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C25H21N3O3/c1-26-25(30)18-10-8-9-17(15-18)21-16-23(29)28(2)27-24(21)20-13-6-7-14-22(20)31-19-11-4-3-5-12-19/h3-16H,1-2H3,(H,26,30)
InChIKeyVCSUNHZGOCWUIO-UHFFFAOYSA-N
XLogP4.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide
CID 140623655
N-methyl-4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzenesulfonamide
CID 140623627
methyl 1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazine-4-carboxylate
CID 140623641
N,N-diethyl-3-fluoro-5-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide
CID 140623626
2-methyl-5-(3-morpholin-4-ylphenyl)-6-(2-phenoxyphenyl)pyridazin-3-one
CID 140623630
5-[4-[cyclopentyl(hydroxy)methyl]phenyl]-2-methyl-6-(2-phenoxyphenyl)pyridazin-3-one
CID 140623665
2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one
CID 90025606
N-methyl-3-(2-methylphenoxy)benzamide
CID 143860787
N-methyl-3-(2-propan-2-ylphenyl)benzamide
CID 142590167
tert-butyl 4-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]piperidine-1-carboxylate
CID 90025783
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906
3-(1-methyl-6-oxopyridazin-3-yl)-4-phenoxybenzoic acid
CID 90017764

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide?
The IUPAC name of N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide (CID 140623694) is N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide.
What is the SMILES notation for N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide?
The canonical SMILES for N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide is CNC(=O)c1cccc(-c2cc(=O)n(C)nc2-c2ccccc2Oc2ccccc2)c1.
What is the InChIKey of N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide?
The InChIKey is VCSUNHZGOCWUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-26-25(30)18-10-8-9-17(15-18)21-16-23(29)28(2)27-24(21)20-13-6-7-14-22(20)31-19-11-4-3-5-12-19/h3-16H,1-2H3,(H,26,30).
What are the key properties of N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide?
N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide has a molecular weight of 411.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-methyl-6-oxo-3-(2-phenoxyphenyl)pyridazin-4-yl]benzamide is sourced from PubChem (CID 140623694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).