ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate

C12H15ClN2O3 — CID 81227208

IUPACethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cnccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-3-15(8-11(16)18-4-2)12(17)9-7-14-6-5-10(9)13/h5-7H,3-4,8H2,1-2H3
InChIKeyQPRACZQLAZSUIN-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.76
Rot. Bonds5

About ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate

ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate (PubChem CID 81227208) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate
PubChem CID81227208
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Nameethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cnccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-3-15(8-11(16)18-4-2)12(17)9-7-14-6-5-10(9)13/h5-7H,3-4,8H2,1-2H3
InChIKeyQPRACZQLAZSUIN-UHFFFAOYSA-N
XLogP1.76
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(5-bromo-2-chlorobenzoyl)-ethylamino]acetate
CID 61021378
4-chloro-N-[3-(diethylamino)propyl]-N-ethylpyridine-3-carboxamide
CID 102992707
ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate
CID 54978868
ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
CID 54949215
ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
CID 78901913
4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide
CID 81227403
ethyl 2-[ethyl(quinoxaline-5-carbonyl)amino]acetate
CID 104577671
ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate
CID 54900748
ethyl 2-[ethyl(pyridine-2-carbonyl)amino]acetate
CID 54901225
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate
CID 61073584

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate?
The IUPAC name of ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate (CID 81227208) is ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)c1cnccc1Cl.
What is the InChIKey of ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate?
The InChIKey is QPRACZQLAZSUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-3-15(8-11(16)18-4-2)12(17)9-7-14-6-5-10(9)13/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate?
ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate has a molecular weight of 270.72 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chloropyridine-3-carbonyl)-ethylamino]acetate is sourced from PubChem (CID 81227208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).