5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione

C19H26N4O4 — CID 44827221

IUPAC5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1c(C)cnc2c1c(=O)n(CC(=O)N1CCC(C)CC1)c(=O)n2C
InChIInChI=1S/C19H26N4O4/c1-5-27-16-13(3)10-20-17-15(16)18(25)23(19(26)21(17)4)11-14(24)22-8-6-12(2)7-9-22/h10,12H,5-9,11H2,1-4H3
InChIKeyKHOJGNHTTKGXCY-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.06
Rot. Bonds4

About 5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione

5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 44827221) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID44827221
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1c(C)cnc2c1c(=O)n(CC(=O)N1CCC(C)CC1)c(=O)n2C
InChIInChI=1S/C19H26N4O4/c1-5-27-16-13(3)10-20-17-15(16)18(25)23(19(26)21(17)4)11-14(24)22-8-6-12(2)7-9-22/h10,12H,5-9,11H2,1-4H3
InChIKeyKHOJGNHTTKGXCY-UHFFFAOYSA-N
XLogP1.06
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

2-(5-ethoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-propylacetamide
CID 26841457
6-ethyl-5-methoxy-1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 18567212
2-(5-ethoxy-6-ethyl-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N,N-diethylacetamide
CID 18567353
N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 26841343
2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-methyl-N-phenylacetamide
CID 41157813
3-[(3-chlorophenyl)methyl]-5-ethoxy-1,6-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 18567300
2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-methoxyphenyl)acetamide
CID 26841320
2-(6-ethyl-5-methoxy-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18567247
N-(3-chloro-4-methylphenyl)-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 26841348
5-ethoxy-1,6-dimethyl-3-[(3-nitrophenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 26841454
2-(1,6-dimethyl-2,4-dioxo-5-propoxypyrido[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 41158290
4-[[2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 26841341

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 44827221) is 5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione is CCOc1c(C)cnc2c1c(=O)n(CC(=O)N1CCC(C)CC1)c(=O)n2C.
What is the InChIKey of 5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KHOJGNHTTKGXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-5-27-16-13(3)10-20-17-15(16)18(25)23(19(26)21(17)4)11-14(24)22-8-6-12(2)7-9-22/h10,12H,5-9,11H2,1-4H3.
What are the key properties of 5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione?
5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,6-dimethyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 44827221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).