ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate

C10H12ClN3O3 — CID 54960391

IUPACethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN3O3/c1-3-17-10(16)6(2)12-9(15)7-4-5-8(11)14-13-7/h4-6H,3H2,1-2H3,(H,12,15)
InChIKeyGHLKOXIMPNHRGF-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.81
Rot. Bonds4

About ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate

ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate (PubChem CID 54960391) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate
PubChem CID54960391
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Nameethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN3O3/c1-3-17-10(16)6(2)12-9(15)7-4-5-8(11)14-13-7/h4-6H,3H2,1-2H3,(H,12,15)
InChIKeyGHLKOXIMPNHRGF-UHFFFAOYSA-N
XLogP0.81
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-[[9-[[(2S)-1-ethoxy-1-oxopropan-2-yl]carbamoyl]-1,10-phenanthroline-2-carbonyl]amino]propanoate
CID 10695509
6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide
CID 61041980
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
6-chloropyridazine-3-carbohydrazide
CID 10080848
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 94211552
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 51136210
6-chloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 61042386
N-[1-(4-bromophenyl)propyl]-6-chloropyridazine-3-carboxamide
CID 61041098

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate (CID 54960391) is ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate is CCOC(=O)C(C)NC(=O)c1ccc(Cl)nn1.
What is the InChIKey of ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate?
The InChIKey is GHLKOXIMPNHRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-3-17-10(16)6(2)12-9(15)7-4-5-8(11)14-13-7/h4-6H,3H2,1-2H3,(H,12,15).
What are the key properties of ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate?
ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate has a molecular weight of 257.68 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 54960391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).