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

C13H17ClN2O2 — CID 146323411

IUPACcis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide
SMILESCCn1cc(NC(=O)[C@H]2CC[C@@H](Cl)C2)ccc1=O
InChIInChI=1S/C13H17ClN2O2/c1-2-16-8-11(5-6-12(16)17)15-13(18)9-3-4-10(14)7-9/h5-6,8-10H,2-4,7H2,1H3,(H,15,18)/t9-,10+/m0/s1
InChIKeyYLKITLAPWPIILU-VHSXEESVSA-N
MW268.74 g/mol
LogP2.21
Rot. Bonds3

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

cis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide (PubChem CID 146323411) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is cis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide
PubChem CID146323411
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Namecis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide
SMILESCCn1cc(NC(=O)[C@H]2CC[C@@H](Cl)C2)ccc1=O
InChIInChI=1S/C13H17ClN2O2/c1-2-16-8-11(5-6-12(16)17)15-13(18)9-3-4-10(14)7-9/h5-6,8-10H,2-4,7H2,1H3,(H,15,18)/t9-,10+/m0/s1
InChIKeyYLKITLAPWPIILU-VHSXEESVSA-N
XLogP2.21
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide
CID 166024018
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorocyclohexane-1-carboxamide
CID 166024184
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorocyclohexane-1-carboxamide
CID 166024353
N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentanecarboxamide
CID 47254963
trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 146323412
cis-(1R,3S)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylcyclopentane-1-carboxamide
CID 146323413
3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 166024091
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 166024158
3,4-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 166024189
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 166024210
cis-(1R,3S)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide
CID 166024233
cis-(1R,3S)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 166024239

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide (CID 146323411) is cis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide is CCn1cc(NC(=O)[C@H]2CC[C@@H](Cl)C2)ccc1=O.
What is the InChIKey of cis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide?
The InChIKey is YLKITLAPWPIILU-VHSXEESVSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-16-8-11(5-6-12(16)17)15-13(18)9-3-4-10(14)7-9/h5-6,8-10H,2-4,7H2,1H3,(H,15,18)/t9-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide?
cis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 146323411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).