N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide

C16H22N4O4 — CID 26841343

IUPACN-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOc1c(C)cnc2c1c(=O)n(CC(=O)NC(C)(C)C)c(=O)n2C
InChIInChI=1S/C16H22N4O4/c1-9-7-17-13-11(12(9)24-6)14(22)20(15(23)19(13)5)8-10(21)18-16(2,3)4/h7H,8H2,1-6H3,(H,18,21)
InChIKeyKHAVZDZGLNKFQH-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.33
Rot. Bonds3

About N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide

N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 26841343) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID26841343
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC NameN-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SMILESCOc1c(C)cnc2c1c(=O)n(CC(=O)NC(C)(C)C)c(=O)n2C
InChIInChI=1S/C16H22N4O4/c1-9-7-17-13-11(12(9)24-6)14(22)20(15(23)19(13)5)8-10(21)18-16(2,3)4/h7H,8H2,1-6H3,(H,18,21)
InChIKeyKHAVZDZGLNKFQH-UHFFFAOYSA-N
XLogP0.33
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide (CID 26841343) is N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide is COc1c(C)cnc2c1c(=O)n(CC(=O)NC(C)(C)C)c(=O)n2C.
What is the InChIKey of N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is KHAVZDZGLNKFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-9-7-17-13-11(12(9)24-6)14(22)20(15(23)19(13)5)8-10(21)18-16(2,3)4/h7H,8H2,1-6H3,(H,18,21).
What are the key properties of N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide?
N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 334.38 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-methoxy-1,6-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 26841343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).