ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate

C10H13N3O3 — CID 112701078

IUPACethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccnnc1
InChIInChI=1S/C10H13N3O3/c1-3-16-9(14)7-13(2)10(15)8-4-5-11-12-6-8/h4-6H,3,7H2,1-2H3
InChIKeySYMSTNBDFSFQKH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.11
Rot. Bonds4

About ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate

ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate (PubChem CID 112701078) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate
PubChem CID112701078
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Nameethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccnnc1
InChIInChI=1S/C10H13N3O3/c1-3-16-9(14)7-13(2)10(15)8-4-5-11-12-6-8/h4-6H,3,7H2,1-2H3
InChIKeySYMSTNBDFSFQKH-UHFFFAOYSA-N
XLogP0.11
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl pyridazine-4-carboxylate;hydron
CID 174586916
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
ethyl 2-[methyl-(5-methylpyrazine-2-carbonyl)amino]acetate
CID 55003335
ethyl 2-[(3-fluoro-4-methylbenzoyl)-methylamino]acetate
CID 55003691
N-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671511
ethyl 2-[(4-amino-3-fluorobenzoyl)-methylamino]acetate
CID 62680799
ethyl 2-[(3-hydroxy-4-iodobenzoyl)-methylamino]acetate
CID 113434712
ethyl 2-[[4-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785152
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
N-[(3-chlorocyclobutyl)methyl]-N-methylpyridazine-4-carboxamide
CID 104672489

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate (CID 112701078) is ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate is CCOC(=O)CN(C)C(=O)c1ccnnc1.
What is the InChIKey of ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate?
The InChIKey is SYMSTNBDFSFQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-3-16-9(14)7-13(2)10(15)8-4-5-11-12-6-8/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate?
ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate has a molecular weight of 223.23 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(pyridazine-4-carbonyl)amino]acetate is sourced from PubChem (CID 112701078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).