(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate

C25H21N3O4 — CID 55358036

IUPAC(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESCc1cccc2nc(COC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)cc(=O)n12
InChIInChI=1S/C25H21N3O4/c1-17-6-5-9-22-27-21(14-23(29)28(17)22)16-32-24(30)15-26-25(31)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,31)
InChIKeyVIKJITAUYUOAAW-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.14
Rot. Bonds6

About (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 55358036) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID55358036
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate
SMILESCc1cccc2nc(COC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)cc(=O)n12
InChIInChI=1S/C25H21N3O4/c1-17-6-5-9-22-27-21(14-23(29)28(17)22)16-32-24(30)15-26-25(31)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,31)
InChIKeyVIKJITAUYUOAAW-UHFFFAOYSA-N
XLogP3.14
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55356727
(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 4782634
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8870931
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648581
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562397
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 55926130
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8939762
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732300
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 55562324
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(methylsulfonylmethyl)benzoate
CID 8836522
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 55355841
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-chlorophenyl)-2-phenylpropanoate
CID 166333292

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate (CID 55358036) is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate is Cc1cccc2nc(COC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)cc(=O)n12.
What is the InChIKey of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is VIKJITAUYUOAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-17-6-5-9-22-27-21(14-23(29)28(17)22)16-32-24(30)15-26-25(31)20-12-10-19(11-13-20)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,26,31).
What are the key properties of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate?
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 427.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 55358036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).