(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate

C24H19N3O4 — CID 55404463

IUPAC(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
SMILESO=C(Cc1ccccc1)Nc1ccccc1C(=O)OCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C24H19N3O4/c28-22(14-17-8-2-1-3-9-17)26-20-11-5-4-10-19(20)24(30)31-16-18-15-23(29)27-13-7-6-12-21(27)25-18/h1-13,15H,14,16H2,(H,26,28)
InChIKeyUEIJNXQMKVZIOP-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.23
Rot. Bonds6

About (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate

(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate (PubChem CID 55404463) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Name(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
PubChem CID55404463
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
SMILESO=C(Cc1ccccc1)Nc1ccccc1C(=O)OCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C24H19N3O4/c28-22(14-17-8-2-1-3-9-17)26-20-11-5-4-10-19(20)24(30)31-16-18-15-23(29)27-13-7-6-12-21(27)25-18/h1-13,15H,14,16H2,(H,26,28)
InChIKeyUEIJNXQMKVZIOP-UHFFFAOYSA-N
XLogP3.23
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-phenylethyl)benzoate
CID 18203378
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-benzoylbenzoate
CID 17424407
ethyl 2-[[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46355958
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 92518637
ethyl 2-[[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]phenyl]carbamoylamino]benzoate
CID 46331995
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-acetylthiophene-2-carboxylate
CID 18100116
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-1,3-benzoxazole-4-carboxylate
CID 166202122
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl thiophene-3-carboxylate
CID 17471308
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(methanesulfonamido)benzoate
CID 24530372
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 55405128
N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]pentanamide
CID 22580423
methyl 2-[[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46355905

Frequently Asked Questions

What is the IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate (CID 55404463) is (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate is O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCc1cc(=O)n2ccccc2n1.
What is the InChIKey of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate?
The InChIKey is UEIJNXQMKVZIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c28-22(14-17-8-2-1-3-9-17)26-20-11-5-4-10-19(20)24(30)31-16-18-15-23(29)27-13-7-6-12-21(27)25-18/h1-13,15H,14,16H2,(H,26,28).
What are the key properties of (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate?
(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate has a molecular weight of 413.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 55404463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).