ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate

C12H18N2O3 — CID 45271635

IUPACethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate
SMILESCCCNc1cccn(CC(=O)OCC)c1=O
InChIInChI=1S/C12H18N2O3/c1-3-7-13-10-6-5-8-14(12(10)16)9-11(15)17-4-2/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKeyJCRLPBKQYFCJRG-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.23
Rot. Bonds6

About ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate

ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate (PubChem CID 45271635) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate
PubChem CID45271635
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate
SMILESCCCNc1cccn(CC(=O)OCC)c1=O
InChIInChI=1S/C12H18N2O3/c1-3-7-13-10-6-5-8-14(12(10)16)9-11(15)17-4-2/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKeyJCRLPBKQYFCJRG-UHFFFAOYSA-N
XLogP1.23
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate
CID 10444200
Ethyl 2-(3-amino-2-oxo-1,2-dihydropyridin-1-yl)acetate
CID 10035571
Methyl (3-amino-2-oxopyridin-1(2H)-yl)acetate
CID 18690858
Methyl 2-(5-amino-2-oxo-1,2-dihydropyridin-1-yl)acetate
CID 20117853
Methyl 2-(5-amino-2-oxo-1,2-dihydropyridin-1-yl)acetate hydrochloride
CID 154581369
2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide
CID 45271636
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide
CID 45272533
3-Amino-1-(tert-butoxycarbonylmethyl)-2-pyridinone
CID 4456265
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 132360567
Methyl 2-(3-amino-2-oxopyridin-1(2H)-yl)acetate hydrochloride
CID 138585376
5-Fluoro-1-(2-methoxyethyl)-3-piperazin-1-ylpyridin-2-one
CID 178099415
tert-Butyl 2-(3-acetylamino-2-oxo-1,2-dihydro-1-pyridyl)acetate
CID 74766025

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate (CID 45271635) is ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate is CCCNc1cccn(CC(=O)OCC)c1=O.
What is the InChIKey of ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate?
The InChIKey is JCRLPBKQYFCJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-7-13-10-6-5-8-14(12(10)16)9-11(15)17-4-2/h5-6,8,13H,3-4,7,9H2,1-2H3.
What are the key properties of ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate?
ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate has a molecular weight of 238.29 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate is sourced from PubChem (CID 45271635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).