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

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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).