2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide

C16H17N5O3 — CID 53199034

IUPAC2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCCc1noc2nc(C)n(CC(=O)NCc3ccccn3)c(=O)c12
InChIInChI=1S/C16H17N5O3/c1-3-12-14-15(24-20-12)19-10(2)21(16(14)23)9-13(22)18-8-11-6-4-5-7-17-11/h4-7H,3,8-9H2,1-2H3,(H,18,22)
InChIKeyAPGWGBYZULWAGN-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.97
Rot. Bonds5

About 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 53199034) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID53199034
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCCc1noc2nc(C)n(CC(=O)NCc3ccccn3)c(=O)c12
InChIInChI=1S/C16H17N5O3/c1-3-12-14-15(24-20-12)19-10(2)21(16(14)23)9-13(22)18-8-11-6-4-5-7-17-11/h4-7H,3,8-9H2,1-2H3,(H,18,22)
InChIKeyAPGWGBYZULWAGN-UHFFFAOYSA-N
XLogP0.97
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53086832
2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 53086846
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-(pyridin-2-ylmethyl)acetamide
CID 75489429
2-(5-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 35762711
2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 90485291
2-[2-(2-fluorophenyl)-4-methyl-3,6-dioxo-1H-pyrazolo[4,3-c]pyridin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 58496396
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
2-[(3R)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 96512054
2-(3-methylindazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 22509815
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
2-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 96516214
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(3-methoxypropyl)acetamide
CID 46350102

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 53199034) is 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide is CCc1noc2nc(C)n(CC(=O)NCc3ccccn3)c(=O)c12.
What is the InChIKey of 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is APGWGBYZULWAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-3-12-14-15(24-20-12)19-10(2)21(16(14)23)9-13(22)18-8-11-6-4-5-7-17-11/h4-7H,3,8-9H2,1-2H3,(H,18,22).
What are the key properties of 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 53199034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).