N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide

C13H13ClN4O2 — CID 62850123

IUPACN-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCn1ncccc1=O
InChIInChI=1S/C13H13ClN4O2/c14-9-3-4-11(10(15)8-9)17-12(19)5-7-18-13(20)2-1-6-16-18/h1-4,6,8H,5,7,15H2,(H,17,19)
InChIKeySCEFXRVCWCPTEG-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.51
Rot. Bonds4

About N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide

N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide (PubChem CID 62850123) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide
PubChem CID62850123
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC NameN-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCn1ncccc1=O
InChIInChI=1S/C13H13ClN4O2/c14-9-3-4-11(10(15)8-9)17-12(19)5-7-18-13(20)2-1-6-16-18/h1-4,6,8H,5,7,15H2,(H,17,19)
InChIKeySCEFXRVCWCPTEG-UHFFFAOYSA-N
XLogP1.51
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62850298
N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62848889
N-(3-amino-4-chlorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62849241
N-(2-amino-4-chlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867517
N-(2-amino-5-chlorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16786560
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
N-(2-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490811
N-(2-amino-5-chlorophenyl)-3-(2-oxopyrimidin-1-yl)propanamide
CID 16790211
N-(2-amino-4-chlorophenyl)-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 104602993
N-(2-amino-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 28546369
N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16788694
N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 55126633

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide (CID 62850123) is N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide is Nc1cc(Cl)ccc1NC(=O)CCn1ncccc1=O.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide?
The InChIKey is SCEFXRVCWCPTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-9-3-4-11(10(15)8-9)17-12(19)5-7-18-13(20)2-1-6-16-18/h1-4,6,8H,5,7,15H2,(H,17,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide?
N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide has a molecular weight of 292.73 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3-(6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 62850123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).