methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

C11H12ClN3O5 — CID 62957148

IUPACmethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H12ClN3O5/c1-19-9(16)5-15(6-10(17)20-2)11(18)7-3-4-8(12)14-13-7/h3-4H,5-6H2,1-2H3
InChIKeyZNBQDDPYKRTLEP-UHFFFAOYSA-N
MW301.69 g/mol
LogP-0.08
Rot. Bonds5

About methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62957148) has the molecular formula C11H12ClN3O5 and a molecular weight of 301.69 g/mol. Its IUPAC name is methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62957148
Molecular FormulaC11H12ClN3O5
Molecular Weight301.69 g/mol
Exact Mass301.05
IUPAC Namemethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H12ClN3O5/c1-19-9(16)5-15(6-10(17)20-2)11(18)7-3-4-8(12)14-13-7/h3-4H,5-6H2,1-2H3
InChIKeyZNBQDDPYKRTLEP-UHFFFAOYSA-N
XLogP-0.08
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate
CID 61052918
6-chloro-N-ethyl-N-(2-hydroxyethyl)pyridazine-3-carboxamide
CID 60980637
6-chloro-N-hydroxy-N-methylpyridazine-3-carboxamide
CID 130951847
6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide
CID 54915932
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 60858877
6-chloro-N-(cyclopropylmethyl)-N-ethylpyridazine-3-carboxamide
CID 63955165
N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
methyl 2-[(6-chloropyridine-2-carbonyl)-(2-ethylbutyl)amino]acetate
CID 62232755
methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,5-thiadiazole-3-carbonyl)amino]acetate
CID 62953312
methyl 2-[(5-chloro-1,3,4-thiadiazole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 80619441
6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 61042272
1-(6-chloropyridazin-3-yl)ethanone
CID 46835648

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 62957148) is methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is ZNBQDDPYKRTLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O5/c1-19-9(16)5-15(6-10(17)20-2)11(18)7-3-4-8(12)14-13-7/h3-4H,5-6H2,1-2H3.
What are the key properties of methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 301.69 g/mol, XLogP of -0.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62957148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).