N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide

C25H21N3O3 — CID 26842143

IUPACN-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21N3O3/c1-31-21-17-22(29)28(20-15-9-4-10-16-20)27-24(21)25(30)26-23(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-17,23H,1H3,(H,26,30)
InChIKeyWJZMCBTZZZWAFH-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.76
Rot. Bonds6

About N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide

N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 26842143) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID26842143
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21N3O3/c1-31-21-17-22(29)28(20-15-9-4-10-16-20)27-24(21)25(30)26-23(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-17,23H,1H3,(H,26,30)
InChIKeyWJZMCBTZZZWAFH-UHFFFAOYSA-N
XLogP3.76
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8552987
4-methoxy-1-(4-methylphenyl)-6-oxo-N-[(1S)-1-phenylethyl]pyridazine-3-carboxamide
CID 8556306
4-methoxy-6-oxo-1-phenyl-N-propylpyridazine-3-carboxamide
CID 8553881
N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553640
N-benzhydryl-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785217
N-[(4-chlorophenyl)methyl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553924
N-benzhydryl-1-(4-bromophenyl)-4-hydroxy-6-oxopyridazine-3-carboxamide
CID 108791406
4-methoxy-N,N-bis(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8554268
1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 8557178
N-(4-fluoro-3-nitrophenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553999
6-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
CID 8553180
1-(4-fluorophenyl)-4-methoxy-N-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557151

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide (CID 26842143) is N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide is COc1cc(=O)n(-c2ccccc2)nc1C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is WJZMCBTZZZWAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-31-21-17-22(29)28(20-15-9-4-10-16-20)27-24(21)25(30)26-23(18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-17,23H,1H3,(H,26,30).
What are the key properties of N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide?
N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 26842143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).