2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C18H24N4O5 — CID 16801622

IUPAC2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCCOc1ccnc2c1c(=O)n(CC(=O)NCC1CCCO1)c(=O)n2C
InChIInChI=1S/C18H24N4O5/c1-3-8-27-13-6-7-19-16-15(13)17(24)22(18(25)21(16)2)11-14(23)20-10-12-5-4-9-26-12/h6-7,12H,3-5,8-11H2,1-2H3,(H,20,23)
InChIKeyIYHABXQYHRUZTF-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.18
Rot. Bonds7

About 2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16801622) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID16801622
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCCOc1ccnc2c1c(=O)n(CC(=O)NCC1CCCO1)c(=O)n2C
InChIInChI=1S/C18H24N4O5/c1-3-8-27-13-6-7-19-16-15(13)17(24)22(18(25)21(16)2)11-14(23)20-10-12-5-4-9-26-12/h6-7,12H,3-5,8-11H2,1-2H3,(H,20,23)
InChIKeyIYHABXQYHRUZTF-UHFFFAOYSA-N
XLogP0.18
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(4-acetylpiperazin-1-yl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30836191
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 939665
2-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41411076
N-(oxolan-2-ylmethyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
CID 44827563
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95099415
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide
CID 78774490
2-[7-(4-ethoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40863111
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95095586
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51973992
2-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71841390
N-[[(2S)-oxolan-2-yl]methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 9379865
2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 126478767

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 16801622) is 2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide is CCCOc1ccnc2c1c(=O)n(CC(=O)NCC1CCCO1)c(=O)n2C.
What is the InChIKey of 2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is IYHABXQYHRUZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-3-8-27-13-6-7-19-16-15(13)17(24)22(18(25)21(16)2)11-14(23)20-10-12-5-4-9-26-12/h6-7,12H,3-5,8-11H2,1-2H3,(H,20,23).
What are the key properties of 2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 376.41 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16801622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).