N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide

C23H19N3O5 — CID 22553096

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)Oc2cccnc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H19N3O5/c27-20(25-12-15-8-9-17-19(11-15)30-14-29-17)13-26-22-18(7-4-10-24-22)31-21(23(26)28)16-5-2-1-3-6-16/h1-11,21H,12-14H2,(H,25,27)
InChIKeySVYDYXVHXOJPJY-UHFFFAOYSA-N
MW417.42 g/mol
LogP2.59
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide (PubChem CID 22553096) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
PubChem CID22553096
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
SMILESO=C(CN1C(=O)C(c2ccccc2)Oc2cccnc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H19N3O5/c27-20(25-12-15-8-9-17-19(11-15)30-14-29-17)13-26-22-18(7-4-10-24-22)31-21(23(26)28)16-5-2-1-3-6-16/h1-11,21H,12-14H2,(H,25,27)
InChIKeySVYDYXVHXOJPJY-UHFFFAOYSA-N
XLogP2.59
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 22553113
N-[2-[butyl(ethyl)amino]ethyl]-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide
CID 22553114
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 7284123
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001024
N-(1,3-benzodioxol-5-ylmethyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240654
N-(1,3-benzodioxol-5-ylmethyl)-2-quinolin-8-ylacetamide
CID 51306954
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide;hydrochloride
CID 120761926
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166602131
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenyl-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 73340696
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-phenacylpiperazin-1-yl)acetamide
CID 11429359
2-(4-benzhydrylpiperazin-1-yl)-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 2812559
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 16956872

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide (CID 22553096) is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide is O=C(CN1C(=O)C(c2ccccc2)Oc2cccnc21)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
The InChIKey is SVYDYXVHXOJPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5/c27-20(25-12-15-8-9-17-19(11-15)30-14-29-17)13-26-22-18(7-4-10-24-22)31-21(23(26)28)16-5-2-1-3-6-16/h1-11,21H,12-14H2,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide has a molecular weight of 417.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-oxo-2-phenylpyrido[3,2-b][1,4]oxazin-4-yl)acetamide is sourced from PubChem (CID 22553096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).