N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide

C13H18N2O2 — CID 47254963

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide
SMILESCCn1cc(NC(=O)C2CCCC2)ccc1=O
InChIInChI=1S/C13H18N2O2/c1-2-15-9-11(7-8-12(15)16)14-13(17)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,14,17)
InChIKeyZDEMCMQTIJAOFF-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.00
Rot. Bonds3

About N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide (PubChem CID 47254963) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide
PubChem CID47254963
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide
SMILESCCn1cc(NC(=O)C2CCCC2)ccc1=O
InChIInChI=1S/C13H18N2O2/c1-2-15-9-11(7-8-12(15)16)14-13(17)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,14,17)
InChIKeyZDEMCMQTIJAOFF-UHFFFAOYSA-N
XLogP2.00
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide (CID 47254963) is N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide is CCn1cc(NC(=O)C2CCCC2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide?
The InChIKey is ZDEMCMQTIJAOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-15-9-11(7-8-12(15)16)14-13(17)10-5-3-4-6-10/h7-10H,2-6H2,1H3,(H,14,17).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide has a molecular weight of 234.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide is sourced from PubChem (CID 47254963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).