N-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide

C12H17N3O2 — CID 114549552

IUPACN-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C12H17N3O2/c1-9-3-4-10(7-9)14-11(16)8-15-6-2-5-13-12(15)17/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,14,16)
InChIKeyQRBOMGWVMVAJNN-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.55
Rot. Bonds3

About N-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 114549552) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID114549552
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCC1CCC(NC(=O)Cn2cccnc2=O)C1
InChIInChI=1S/C12H17N3O2/c1-9-3-4-10(7-9)14-11(16)8-15-6-2-5-13-12(15)17/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,14,16)
InChIKeyQRBOMGWVMVAJNN-UHFFFAOYSA-N
XLogP0.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 114549552) is N-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide is CC1CCC(NC(=O)Cn2cccnc2=O)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is QRBOMGWVMVAJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-3-4-10(7-9)14-11(16)8-15-6-2-5-13-12(15)17/h2,5-6,9-10H,3-4,7-8H2,1H3,(H,14,16).
What are the key properties of N-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 114549552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).