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

C13H18ClN3O3 — CID 61052918

IUPACethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H18ClN3O3/c1-4-20-12(18)8-17(7-9(2)3)13(19)10-5-6-11(14)16-15-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyFBIRFWHEGFMXST-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.79
Rot. Bonds6

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

ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate (PubChem CID 61052918) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate
PubChem CID61052918
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Nameethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C13H18ClN3O3/c1-4-20-12(18)8-17(7-9(2)3)13(19)10-5-6-11(14)16-15-10/h5-6,9H,4,7-8H2,1-3H3
InChIKeyFBIRFWHEGFMXST-UHFFFAOYSA-N
XLogP1.79
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957148
ethyl 2-[(3-bromo-5-chlorobenzoyl)-(2-methylpropyl)amino]acetate
CID 107952118
ethyl 2-[(3,5-diaminobenzoyl)-(2-methylpropyl)amino]acetate
CID 61105851
6-chloro-N-ethyl-N-(2-hydroxyethyl)pyridazine-3-carboxamide
CID 60980637
ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate
CID 54960391
6-hydrazinyl-N,N-bis(2-methylpropyl)pyridazine-3-carboxamide
CID 55052509
ethyl 2-[(2-bromo-6-fluorobenzoyl)-(2-methylpropyl)amino]acetate
CID 114559509
ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate
CID 65358337
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 60858877
ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
CID 60947748
ethyl 2-[[6-(N-methylanilino)pyridine-3-carbonyl]-(2-methylpropyl)amino]acetate
CID 112831032
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate
CID 115426417

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate (CID 61052918) is ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate?
The InChIKey is FBIRFWHEGFMXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-4-20-12(18)8-17(7-9(2)3)13(19)10-5-6-11(14)16-15-10/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate?
ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate has a molecular weight of 299.76 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 61052918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).