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

C19H18N4O6 — CID 8870931

IUPAC(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESCc1cccc2nc(COC(=O)CNC(=O)CNC(=O)c3ccco3)cc(=O)n12
InChIInChI=1S/C19H18N4O6/c1-12-4-2-6-15-22-13(8-17(25)23(12)15)11-29-18(26)10-20-16(24)9-21-19(27)14-5-3-7-28-14/h2-8H,9-11H2,1H3,(H,20,24)(H,21,27)
InChIKeyJFLHZMKVTOZTBD-UHFFFAOYSA-N
MW398.38 g/mol
LogP0.19
Rot. Bonds7

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

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate (PubChem CID 8870931) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
PubChem CID8870931
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESCc1cccc2nc(COC(=O)CNC(=O)CNC(=O)c3ccco3)cc(=O)n12
InChIInChI=1S/C19H18N4O6/c1-12-4-2-6-15-22-13(8-17(25)23(12)15)11-29-18(26)10-20-16(24)9-21-19(27)14-5-3-7-28-14/h2-8H,9-11H2,1H3,(H,20,24)(H,21,27)
InChIKeyJFLHZMKVTOZTBD-UHFFFAOYSA-N
XLogP0.19
TPSA132.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate with MolForge

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Related Compounds

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate
CID 7899255
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-phenylbenzoyl)amino]acetate
CID 55358036
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55356727
(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 3-(methylsulfonylmethyl)benzoate
CID 8836522
(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate
CID 46791464
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 55926130
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
CID 46559524
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7535615
2-benzyl-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 11470702
(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 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732300

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate (CID 8870931) is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate is Cc1cccc2nc(COC(=O)CNC(=O)CNC(=O)c3ccco3)cc(=O)n12.
What is the InChIKey of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is JFLHZMKVTOZTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-12-4-2-6-15-22-13(8-17(25)23(12)15)11-29-18(26)10-20-16(24)9-21-19(27)14-5-3-7-28-14/h2-8H,9-11H2,1H3,(H,20,24)(H,21,27).
What are the key properties of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 398.38 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 8870931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).