2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide

C21H29N5O3 — CID 3646367

IUPAC2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide
SMILESCCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2C)c1=O
InChIInChI=1S/C21H29N5O3/c1-3-11-25-19(22)18(24-12-7-4-8-13-24)20(28)26(21(25)29)14-17(27)23-16-10-6-5-9-15(16)2/h5-6,9-10H,3-4,7-8,11-14,22H2,1-2H3,(H,23,27)
InChIKeyVGKWQIFPAUHUPC-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.94
Rot. Bonds6

About 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide

2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide (PubChem CID 3646367) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide
PubChem CID3646367
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide
SMILESCCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2C)c1=O
InChIInChI=1S/C21H29N5O3/c1-3-11-25-19(22)18(24-12-7-4-8-13-24)20(28)26(21(25)29)14-17(27)23-16-10-6-5-9-15(16)2/h5-6,9-10H,3-4,7-8,11-14,22H2,1-2H3,(H,23,27)
InChIKeyVGKWQIFPAUHUPC-UHFFFAOYSA-N
XLogP1.94
TPSA102.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)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-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide (CID 3646367) is 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide is CCCn1c(N)c(N2CCCCC2)c(=O)n(CC(=O)Nc2ccccc2C)c1=O.
What is the InChIKey of 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is VGKWQIFPAUHUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-3-11-25-19(22)18(24-12-7-4-8-13-24)20(28)26(21(25)29)14-17(27)23-16-10-6-5-9-15(16)2/h5-6,9-10H,3-4,7-8,11-14,22H2,1-2H3,(H,23,27).
What are the key properties of 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide?
2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 399.50 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 3646367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).