N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide

C14H18N4O3 — CID 19071362

IUPACN-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
SMILESCCn1c(=O)c2c(NC(C)=O)c(C)cnc2n(CC)c1=O
InChIInChI=1S/C14H18N4O3/c1-5-17-12-10(13(20)18(6-2)14(17)21)11(16-9(4)19)8(3)7-15-12/h7H,5-6H2,1-4H3,(H,15,16,19)
InChIKeyGQQYMKHGSUXULK-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.86
Rot. Bonds3

About N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide

N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide (PubChem CID 19071362) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
PubChem CID19071362
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide
SMILESCCn1c(=O)c2c(NC(C)=O)c(C)cnc2n(CC)c1=O
InChIInChI=1S/C14H18N4O3/c1-5-17-12-10(13(20)18(6-2)14(17)21)11(16-9(4)19)8(3)7-15-12/h7H,5-6H2,1-4H3,(H,15,16,19)
InChIKeyGQQYMKHGSUXULK-UHFFFAOYSA-N
XLogP0.86
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide (CID 19071362) is N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide is CCn1c(=O)c2c(NC(C)=O)c(C)cnc2n(CC)c1=O.
What is the InChIKey of N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide?
The InChIKey is GQQYMKHGSUXULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-5-17-12-10(13(20)18(6-2)14(17)21)11(16-9(4)19)8(3)7-15-12/h7H,5-6H2,1-4H3,(H,15,16,19).
What are the key properties of N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide?
N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-6-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 19071362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).