N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide

C13H12ClN3O2 — CID 121079706

IUPACN-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)n1ncccc1=O
InChIInChI=1S/C13H12ClN3O2/c1-9(17-12(18)3-2-8-15-17)13(19)16-11-6-4-10(14)5-7-11/h2-9H,1H3,(H,16,19)
InChIKeySDYSQTIOCVGOEZ-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.10
Rot. Bonds3

About N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide

N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide (PubChem CID 121079706) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
PubChem CID121079706
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC NameN-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1)n1ncccc1=O
InChIInChI=1S/C13H12ClN3O2/c1-9(17-12(18)3-2-8-15-17)13(19)16-11-6-4-10(14)5-7-11/h2-9H,1H3,(H,16,19)
InChIKeySDYSQTIOCVGOEZ-UHFFFAOYSA-N
XLogP2.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079717
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide
CID 121079689
(2S)-N-(3-chloro-2-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868316
(2S)-N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902730
(2S)-N-(2,3-dimethylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868310
N-(5-acetamido-2-methoxyphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079674
3-[1-(4-chloroanilino)-1-oxopropan-2-yl]triazole-4-carboxylic acid
CID 82194760
N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517462
(2R)-N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 51868313
N-(2-methoxy-5-methylphenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 45497099
N-(2-methylquinolin-4-yl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079728
N-(4-chlorophenyl)-2-(4-formyl-5-methyltriazol-1-yl)propanamide
CID 82202006

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide (CID 121079706) is N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide is CC(C(=O)Nc1ccc(Cl)cc1)n1ncccc1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide?
The InChIKey is SDYSQTIOCVGOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-9(17-12(18)3-2-8-15-17)13(19)16-11-6-4-10(14)5-7-11/h2-9H,1H3,(H,16,19).
What are the key properties of N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide?
N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide has a molecular weight of 277.71 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 121079706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).