N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide

C20H16N4O2 — CID 71542339

IUPACN-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(=O)n(-c3ccc(C#N)cc3)nc2C)c1
InChIInChI=1S/C20H16N4O2/c1-13-19(16-4-3-5-17(10-16)22-14(2)25)11-20(26)24(23-13)18-8-6-15(12-21)7-9-18/h3-11H,1-2H3,(H,22,25)
InChIKeyWNDJMTIOVDNPFS-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.04
Rot. Bonds3

About N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide

N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide (PubChem CID 71542339) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide
PubChem CID71542339
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc(=O)n(-c3ccc(C#N)cc3)nc2C)c1
InChIInChI=1S/C20H16N4O2/c1-13-19(16-4-3-5-17(10-16)22-14(2)25)11-20(26)24(23-13)18-8-6-15(12-21)7-9-18/h3-11H,1-2H3,(H,22,25)
InChIKeyWNDJMTIOVDNPFS-UHFFFAOYSA-N
XLogP3.04
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[3-[3-methyl-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]phenyl]benzamide
CID 71542537
4-[4-[3-(ethylsulfonylamino)phenyl]-3-methyl-6-oxopyridazin-1-yl]benzoic acid
CID 71541962
N-[3-[5-(4-cyanophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 44544152
N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide
CID 50984671
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide
CID 50983123
5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26245567
3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide
CID 46107962
N-[2-(4-cyanophenyl)-4,5-dimethylpyrazol-3-yl]-2-fluoro-3-methylbenzamide
CID 154750302
1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[3-(1,5-dimethylpyrazol-3-yl)phenyl]urea
CID 18950811
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
CID 26289954
4-[5-(4-cyanophenyl)-3-methylpyrazol-1-yl]benzamide
CID 57334621

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide (CID 71542339) is N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cc(=O)n(-c3ccc(C#N)cc3)nc2C)c1.
What is the InChIKey of N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide?
The InChIKey is WNDJMTIOVDNPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-13-19(16-4-3-5-17(10-16)22-14(2)25)11-20(26)24(23-13)18-8-6-15(12-21)7-9-18/h3-11H,1-2H3,(H,22,25).
What are the key properties of N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide?
N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide has a molecular weight of 344.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-cyanophenyl)-3-methyl-6-oxopyridazin-4-yl]phenyl]acetamide is sourced from PubChem (CID 71542339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).