ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate

C13H14N4O4 — CID 44782870

IUPACethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc2ncc(N)c(=O)n2c1
InChIInChI=1S/C13H14N4O4/c1-2-21-11(18)6-16-12(19)8-3-4-10-15-5-9(14)13(20)17(10)7-8/h3-5,7H,2,6,14H2,1H3,(H,16,19)
InChIKeyHEVKPIBYBRPUGE-UHFFFAOYSA-N
MW290.28 g/mol
LogP-0.43
Rot. Bonds4

About ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate

ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate (PubChem CID 44782870) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate
PubChem CID44782870
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Nameethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc2ncc(N)c(=O)n2c1
InChIInChI=1S/C13H14N4O4/c1-2-21-11(18)6-16-12(19)8-3-4-10-15-5-9(14)13(20)17(10)7-8/h3-5,7H,2,6,14H2,1H3,(H,16,19)
InChIKeyHEVKPIBYBRPUGE-UHFFFAOYSA-N
XLogP-0.43
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783018
ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate
CID 44782906
methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 44783245
ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate
CID 44783014
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
ethyl 2-[[6-(ethoxymethyl)pyridine-3-carbonyl]amino]acetate
CID 139614932
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
ethyl 2-[[2-[(4-aminobenzoyl)amino]acetyl]amino]acetate
CID 60895921
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate (CID 44782870) is ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1ccc2ncc(N)c(=O)n2c1.
What is the InChIKey of ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate?
The InChIKey is HEVKPIBYBRPUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-2-21-11(18)6-16-12(19)8-3-4-10-15-5-9(14)13(20)17(10)7-8/h3-5,7H,2,6,14H2,1H3,(H,16,19).
What are the key properties of ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate?
ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate has a molecular weight of 290.28 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate is sourced from PubChem (CID 44782870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).