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

C18H15N3O4 — CID 20878743

IUPACmethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1
InChIInChI=1S/C18H15N3O4/c1-11-3-8-15-19-9-14(17(23)21(15)10-11)16(22)20-13-6-4-12(5-7-13)18(24)25-2/h3-10H,1-2H3,(H,20,22)
InChIKeyHBYXATHDYPVALH-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.04
Rot. Bonds3

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

methyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate (PubChem CID 20878743) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is methyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
PubChem CID20878743
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Namemethyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1
InChIInChI=1S/C18H15N3O4/c1-11-3-8-15-19-9-14(17(23)21(15)10-11)16(22)20-13-6-4-12(5-7-13)18(24)25-2/h3-10H,1-2H3,(H,20,22)
InChIKeyHBYXATHDYPVALH-UHFFFAOYSA-N
XLogP2.04
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate (CID 20878743) is methyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1.
What is the InChIKey of methyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate?
The InChIKey is HBYXATHDYPVALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-11-3-8-15-19-9-14(17(23)21(15)10-11)16(22)20-13-6-4-12(5-7-13)18(24)25-2/h3-10H,1-2H3,(H,20,22).
What are the key properties of methyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate?
methyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate has a molecular weight of 337.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 20878743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).