2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide

C16H23N3O2 — CID 86912436

IUPAC2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(=O)NC(C(=O)NC(C)c1ccncc1)C1CCCC1
InChIInChI=1S/C16H23N3O2/c1-11(13-7-9-17-10-8-13)18-16(21)15(19-12(2)20)14-5-3-4-6-14/h7-11,14-15H,3-6H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyQLRSARMMCQHYFT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.95
Rot. Bonds5

About 2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide

2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 86912436) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID86912436
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(=O)NC(C(=O)NC(C)c1ccncc1)C1CCCC1
InChIInChI=1S/C16H23N3O2/c1-11(13-7-9-17-10-8-13)18-16(21)15(19-12(2)20)14-5-3-4-6-14/h7-11,14-15H,3-6H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyQLRSARMMCQHYFT-UHFFFAOYSA-N
XLogP1.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide (CID 86912436) is 2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide is CC(=O)NC(C(=O)NC(C)c1ccncc1)C1CCCC1.
What is the InChIKey of 2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is QLRSARMMCQHYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(13-7-9-17-10-8-13)18-16(21)15(19-12(2)20)14-5-3-4-6-14/h7-11,14-15H,3-6H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide?
2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 86912436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).