ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate

C15H19N5O5 — CID 121180730

IUPACethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NCCn1c(=O)[nH]c2ncccc2c1=O
InChIInChI=1S/C15H19N5O5/c1-2-25-11(21)5-7-17-14(23)18-8-9-20-13(22)10-4-3-6-16-12(10)19-15(20)24/h3-4,6H,2,5,7-9H2,1H3,(H,16,19,24)(H2,17,18,23)
InChIKeyOHYDDCHMEOZUDM-UHFFFAOYSA-N
MW349.35 g/mol
LogP-0.66
Rot. Bonds7

About ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate

ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate (PubChem CID 121180730) has the molecular formula C15H19N5O5 and a molecular weight of 349.35 g/mol. Its IUPAC name is ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate
PubChem CID121180730
Molecular FormulaC15H19N5O5
Molecular Weight349.35 g/mol
Exact Mass349.14
IUPAC Nameethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NCCn1c(=O)[nH]c2ncccc2c1=O
InChIInChI=1S/C15H19N5O5/c1-2-25-11(21)5-7-17-14(23)18-8-9-20-13(22)10-4-3-6-16-12(10)19-15(20)24/h3-4,6H,2,5,7-9H2,1H3,(H,16,19,24)(H2,17,18,23)
InChIKeyOHYDDCHMEOZUDM-UHFFFAOYSA-N
XLogP-0.66
TPSA135.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoyl]benzoate
CID 91818452
N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-pyrrol-1-ylacetamide
CID 91818482
N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 91818481
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide
CID 91818477
N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-3-methylsulfanylbenzamide
CID 119102277
ethyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]propanoate
CID 46287068
2-(1,3-benzodioxol-5-yloxy)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]propanamide
CID 91818501
2-(1,3-benzodioxol-5-yl)-N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]acetamide
CID 91818484
N-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119102270
3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879786
ethyl 3-[(2-methylpyrazol-3-yl)carbamoylamino]propanoate
CID 108813860
ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate
CID 139690765

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate?
The IUPAC name of ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate (CID 121180730) is ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate.
What is the SMILES notation for ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate?
The canonical SMILES for ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate is CCOC(=O)CCNC(=O)NCCn1c(=O)[nH]c2ncccc2c1=O.
What is the InChIKey of ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate?
The InChIKey is OHYDDCHMEOZUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5/c1-2-25-11(21)5-7-17-14(23)18-8-9-20-13(22)10-4-3-6-16-12(10)19-15(20)24/h3-4,6H,2,5,7-9H2,1H3,(H,16,19,24)(H2,17,18,23).
What are the key properties of ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate?
ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate has a molecular weight of 349.35 g/mol, XLogP of -0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-3-yl)ethylcarbamoylamino]propanoate is sourced from PubChem (CID 121180730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).