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

C19H17N3O4 — CID 20878742

IUPACethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-3-26-19(25)13-5-7-14(8-6-13)21-17(23)15-10-20-16-9-4-12(2)11-22(16)18(15)24/h4-11H,3H2,1-2H3,(H,21,23)
InChIKeyQKUXMFFWAWSHPC-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.43
Rot. Bonds4

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

ethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate (PubChem CID 20878742) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is ethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
PubChem CID20878742
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Nameethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-3-26-19(25)13-5-7-14(8-6-13)21-17(23)15-10-20-16-9-4-12(2)11-22(16)18(15)24/h4-11H,3H2,1-2H3,(H,21,23)
InChIKeyQKUXMFFWAWSHPC-UHFFFAOYSA-N
XLogP2.43
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate (CID 20878742) is ethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1.
What is the InChIKey of ethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate?
The InChIKey is QKUXMFFWAWSHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-3-26-19(25)13-5-7-14(8-6-13)21-17(23)15-10-20-16-9-4-12(2)11-22(16)18(15)24/h4-11H,3H2,1-2H3,(H,21,23).
What are the key properties of ethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate?
ethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate has a molecular weight of 351.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 20878742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).