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

C19H17N3O4 — CID 51329815

IUPACpropyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-2-11-26-19(25)13-6-8-14(9-7-13)21-17(23)15-12-20-16-5-3-4-10-22(16)18(15)24/h3-10,12H,2,11H2,1H3,(H,21,23)
InChIKeyBQDKKYSNHMAVOQ-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.51
Rot. Bonds5

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

propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate (PubChem CID 51329815) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
PubChem CID51329815
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Namepropyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-2-11-26-19(25)13-6-8-14(9-7-13)21-17(23)15-12-20-16-5-3-4-10-22(16)18(15)24/h3-10,12H,2,11H2,1H3,(H,21,23)
InChIKeyBQDKKYSNHMAVOQ-UHFFFAOYSA-N
XLogP2.51
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329791
N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51098182
N-[4-[(2-chlorophenyl)methoxy]phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60552604
N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878677
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
N-(4-amino-3,5-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16621733
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115410125
propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 51331436
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43409696
propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
CID 17224802

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate?
The IUPAC name of propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate (CID 51329815) is propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate?
The canonical SMILES for propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2cnc3ccccn3c2=O)cc1.
What is the InChIKey of propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate?
The InChIKey is BQDKKYSNHMAVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-2-11-26-19(25)13-6-8-14(9-7-13)21-17(23)15-12-20-16-5-3-4-10-22(16)18(15)24/h3-10,12H,2,11H2,1H3,(H,21,23).
What are the key properties of propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate?
propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate has a molecular weight of 351.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 51329815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).