cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide

C14H20N2O2 — CID 146323413

IUPACcis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide
SMILESCCn1cc(NC(=O)[C@@H]2CC[C@H](C)C2)ccc1=O
InChIInChI=1S/C14H20N2O2/c1-3-16-9-12(6-7-13(16)17)15-14(18)11-5-4-10(2)8-11/h6-7,9-11H,3-5,8H2,1-2H3,(H,15,18)/t10-,11+/m0/s1
InChIKeyXNIXZAHQXFPNCB-WDEREUQCSA-N
MW248.33 g/mol
LogP2.24
Rot. Bonds3

About cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide

cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide (PubChem CID 146323413) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide
PubChem CID146323413
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namecis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide
SMILESCCn1cc(NC(=O)[C@@H]2CC[C@H](C)C2)ccc1=O
InChIInChI=1S/C14H20N2O2/c1-3-16-9-12(6-7-13(16)17)15-14(18)11-5-4-10(2)8-11/h6-7,9-11H,3-5,8H2,1-2H3,(H,15,18)/t10-,11+/m0/s1
InChIKeyXNIXZAHQXFPNCB-WDEREUQCSA-N
XLogP2.24
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide (CID 146323413) is cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide is CCn1cc(NC(=O)[C@@H]2CC[C@H](C)C2)ccc1=O.
What is the InChIKey of cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide?
The InChIKey is XNIXZAHQXFPNCB-WDEREUQCSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16-9-12(6-7-13(16)17)15-14(18)11-5-4-10(2)8-11/h6-7,9-11H,3-5,8H2,1-2H3,(H,15,18)/t10-,11+/m0/s1.
What are the key properties of cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide?
cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 146323413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).