2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide

C16H22N4O4 — CID 26841457

IUPAC2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)c2c(OCC)c(C)cnc2n(C)c1=O
InChIInChI=1S/C16H22N4O4/c1-5-7-17-11(21)9-20-15(22)12-13(24-6-2)10(3)8-18-14(12)19(4)16(20)23/h8H,5-7,9H2,1-4H3,(H,17,21)
InChIKeyNXIXQUUHSGJKOR-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.33
Rot. Bonds6

About 2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide

2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide (PubChem CID 26841457) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide
PubChem CID26841457
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1c(=O)c2c(OCC)c(C)cnc2n(C)c1=O
InChIInChI=1S/C16H22N4O4/c1-5-7-17-11(21)9-20-15(22)12-13(24-6-2)10(3)8-18-14(12)19(4)16(20)23/h8H,5-7,9H2,1-4H3,(H,17,21)
InChIKeyNXIXQUUHSGJKOR-UHFFFAOYSA-N
XLogP0.33
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,6-dimethyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 41158290
N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 26841343
5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 44827221
2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide
CID 26841320
N-(3-chloro-4-methylphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 26841348
2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-methylacetamide
CID 18567245
2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N,N-diethylacetamide
CID 18567353
4-[[2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 26841341
2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-methyl-N-phenylacetamide
CID 41157813
N-(3,4-dimethoxyphenyl)-2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18567331
2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(3-fluorophenyl)acetamide
CID 18567323
3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 18567300

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide?
The IUPAC name of 2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide (CID 26841457) is 2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide is CCCNC(=O)Cn1c(=O)c2c(OCC)c(C)cnc2n(C)c1=O.
What is the InChIKey of 2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide?
The InChIKey is NXIXQUUHSGJKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-5-7-17-11(21)9-20-15(22)12-13(24-6-2)10(3)8-18-14(12)19(4)16(20)23/h8H,5-7,9H2,1-4H3,(H,17,21).
What are the key properties of 2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide?
2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide has a molecular weight of 334.38 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide is sourced from PubChem (CID 26841457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).