ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate

C16H19N3O4 — CID 3079295

IUPACethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)(C)NC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C16H19N3O4/c1-5-23-15(22)16(3,4)18-13(20)11-9-17-12-8-6-7-10(2)19(12)14(11)21/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyDOKQYDPGETZTGK-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.07
Rot. Bonds4

About ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate

ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate (PubChem CID 3079295) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate
PubChem CID3079295
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Nameethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)C(C)(C)NC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C16H19N3O4/c1-5-23-15(22)16(3,4)18-13(20)11-9-17-12-8-6-7-10(2)19(12)14(11)21/h6-9H,5H2,1-4H3,(H,18,20)
InChIKeyDOKQYDPGETZTGK-UHFFFAOYSA-N
XLogP1.07
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate (CID 3079295) is ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate is CCOC(=O)C(C)(C)NC(=O)c1cnc2cccc(C)n2c1=O.
What is the InChIKey of ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate?
The InChIKey is DOKQYDPGETZTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-5-23-15(22)16(3,4)18-13(20)11-9-17-12-8-6-7-10(2)19(12)14(11)21/h6-9H,5H2,1-4H3,(H,18,20).
What are the key properties of ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate?
ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate has a molecular weight of 317.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[(6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 3079295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).