2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide

C17H20N4O2 — CID 122298244

IUPAC2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C17H20N4O2/c1-23-15-7-3-2-6-13(15)10-16(22)20-14-11-18-17(19-12-14)21-8-4-5-9-21/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,20,22)
InChIKeyIIFGVBBAQTWSDA-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.27
Rot. Bonds5

About 2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide

2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide (PubChem CID 122298244) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
PubChem CID122298244
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1cnc(N2CCCC2)nc1
InChIInChI=1S/C17H20N4O2/c1-23-15-7-3-2-6-13(15)10-16(22)20-14-11-18-17(19-12-14)21-8-4-5-9-21/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,20,22)
InChIKeyIIFGVBBAQTWSDA-UHFFFAOYSA-N
XLogP2.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-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

Related Compounds

2-(2-methoxyphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300315
2-(2-chloro-4-methoxyphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164705
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298207
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298205
2-(2-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]acetamide
CID 122299697
2-(2-chlorophenyl)-N-(2-morpholin-4-ylpyrimidin-5-yl)acetamide
CID 53164803
2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 122298592
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299176
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
4-[[2-(2-methoxyphenyl)acetyl]amino]-N-methyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 139916931

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide (CID 122298244) is 2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide is COc1ccccc1CC(=O)Nc1cnc(N2CCCC2)nc1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
The InChIKey is IIFGVBBAQTWSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-15-7-3-2-6-13(15)10-16(22)20-14-11-18-17(19-12-14)21-8-4-5-9-21/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,20,22).
What are the key properties of 2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide?
2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide is sourced from PubChem (CID 122298244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).