ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate

C12H18N4O4 — CID 141447217

IUPACethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCc1cc(N)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O4/c1-2-20-11(18)7-15-12(19)14-4-3-9-5-8(13)6-10(17)16-9/h5-6H,2-4,7H2,1H3,(H3,13,16,17)(H2,14,15,19)
InChIKeyQRHBQFMLLHYHST-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.64
Rot. Bonds6

About ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate

ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate (PubChem CID 141447217) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate
PubChem CID141447217
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Nameethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCc1cc(N)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O4/c1-2-20-11(18)7-15-12(19)14-4-3-9-5-8(13)6-10(17)16-9/h5-6H,2-4,7H2,1H3,(H3,13,16,17)(H2,14,15,19)
InChIKeyQRHBQFMLLHYHST-UHFFFAOYSA-N
XLogP-0.64
TPSA126.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(6-but-3-enyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 138968655
2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid
CID 141429908
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate
CID 43422775
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate
CID 43623290
ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate
CID 54921276
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate
CID 54998124
ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate
CID 55003742
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoate
CID 60715874
ethyl 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 60817242
ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propylamino]acetate
CID 61007692
ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propan-2-ylamino]acetate
CID 61022444
ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate
CID 61022834

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate (CID 141447217) is ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCCc1cc(N)cc(=O)[nH]1.
What is the InChIKey of ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate?
The InChIKey is QRHBQFMLLHYHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-2-20-11(18)7-15-12(19)14-4-3-9-5-8(13)6-10(17)16-9/h5-6H,2-4,7H2,1H3,(H3,13,16,17)(H2,14,15,19).
What are the key properties of ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate?
ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate has a molecular weight of 282.30 g/mol, XLogP of -0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate is sourced from PubChem (CID 141447217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).