2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide

C14H18N4O3 — CID 20879912

IUPAC2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide
SMILESCC(C)CCn1c(=O)c2cccnc2n(CC(N)=O)c1=O
InChIInChI=1S/C14H18N4O3/c1-9(2)5-7-17-13(20)10-4-3-6-16-12(10)18(14(17)21)8-11(15)19/h3-4,6,9H,5,7-8H2,1-2H3,(H2,15,19)
InChIKeyQWMMEKPEYMJYRK-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.09
Rot. Bonds5

About 2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide

2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide (PubChem CID 20879912) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide
PubChem CID20879912
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide
SMILESCC(C)CCn1c(=O)c2cccnc2n(CC(N)=O)c1=O
InChIInChI=1S/C14H18N4O3/c1-9(2)5-7-17-13(20)10-4-3-6-16-12(10)18(14(17)21)8-11(15)19/h3-4,6,9H,5,7-8H2,1-2H3,(H2,15,19)
InChIKeyQWMMEKPEYMJYRK-UHFFFAOYSA-N
XLogP0.09
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide?
The IUPAC name of 2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide (CID 20879912) is 2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide is CC(C)CCn1c(=O)c2cccnc2n(CC(N)=O)c1=O.
What is the InChIKey of 2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide?
The InChIKey is QWMMEKPEYMJYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9(2)5-7-17-13(20)10-4-3-6-16-12(10)18(14(17)21)8-11(15)19/h3-4,6,9H,5,7-8H2,1-2H3,(H2,15,19).
What are the key properties of 2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide?
2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylbutyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 20879912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).