ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate

C12H16N2O3 — CID 54901225

IUPACethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1ccccn1
InChIInChI=1S/C12H16N2O3/c1-3-14(9-11(15)17-4-2)12(16)10-7-5-6-8-13-10/h5-8H,3-4,9H2,1-2H3
InChIKeyQZKTVVDFDKZFQH-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.11
Rot. Bonds5

About ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate

ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate (PubChem CID 54901225) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
PubChem CID54901225
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1ccccn1
InChIInChI=1S/C12H16N2O3/c1-3-14(9-11(15)17-4-2)12(16)10-7-5-6-8-13-10/h5-8H,3-4,9H2,1-2H3
InChIKeyQZKTVVDFDKZFQH-UHFFFAOYSA-N
XLogP1.11
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[propyl(pyridine-2-carbonyl)amino]acetate
CID 54898857
ethyl pyridine-2-carboxylate
CID 17307
ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate
CID 104577671
ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
CID 88995509
ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate
CID 78902194
ethyl 2-[(2-acetamido-1,3-thiazole-4-carbonyl)-ethylamino]acetate
CID 61012652
ethyl 2-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetate
CID 61011978
ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61021131
ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 88995427
ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate
CID 81227208
methyl 2-[methyl(pyridine-2-carbonyl)amino]acetate
CID 43407333
ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate
CID 54900748

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate (CID 54901225) is ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate is CCOC(=O)CN(CC)C(=O)c1ccccn1.
What is the InChIKey of ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate?
The InChIKey is QZKTVVDFDKZFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-14(9-11(15)17-4-2)12(16)10-7-5-6-8-13-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate?
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate has a molecular weight of 236.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 54901225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).