6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide

C26H23N3O3 — CID 55846918

IUPAC6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cccc(OCc3ccccc3)c2)nn1-c1ccccc1
InChIInChI=1S/C26H23N3O3/c1-19-15-24(30)25(28-29(19)22-12-6-3-7-13-22)26(31)27-17-21-11-8-14-23(16-21)32-18-20-9-4-2-5-10-20/h2-16H,17-18H2,1H3,(H,27,31)
InChIKeyDWLUUOBDIJQLQQ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.05
Rot. Bonds7

About 6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide

6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 55846918) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide
PubChem CID55846918
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cccc(OCc3ccccc3)c2)nn1-c1ccccc1
InChIInChI=1S/C26H23N3O3/c1-19-15-24(30)25(28-29(19)22-12-6-3-7-13-22)26(31)27-17-21-11-8-14-23(16-21)32-18-20-9-4-2-5-10-20/h2-16H,17-18H2,1H3,(H,27,31)
InChIKeyDWLUUOBDIJQLQQ-UHFFFAOYSA-N
XLogP4.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 32637086
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55797410
N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 31218833
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 55750161
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
N-(cyclopentylmethyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 43067725
4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801026
N-[(3-methoxyphenyl)methyl]-6-methyl-7-oxo-1-phenylpyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100569
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86968285
N-benzyl-6-methoxy-1-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 53157495
6-methyl-4-oxo-1-phenyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 9143796

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide (CID 55846918) is 6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2cccc(OCc3ccccc3)c2)nn1-c1ccccc1.
What is the InChIKey of 6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is DWLUUOBDIJQLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-19-15-24(30)25(28-29(19)22-12-6-3-7-13-22)26(31)27-17-21-11-8-14-23(16-21)32-18-20-9-4-2-5-10-20/h2-16H,17-18H2,1H3,(H,27,31).
What are the key properties of 6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide?
6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-phenyl-N-[(3-phenylmethoxyphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55846918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).