trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide

C14H19ClN2O2 — CID 146323412

IUPACtrans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)[C@@H]2CCC[C@@H](Cl)C2)ccc1=O
InChIInChI=1S/C14H19ClN2O2/c1-2-17-9-12(6-7-13(17)18)16-14(19)10-4-3-5-11(15)8-10/h6-7,9-11H,2-5,8H2,1H3,(H,16,19)/t10-,11-/m1/s1
InChIKeyPPVQTXUOLKDVOO-GHMZBOCLSA-N
MW282.77 g/mol
LogP2.60
Rot. Bonds3

About trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide

trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 146323412) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID146323412
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Nametrans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCn1cc(NC(=O)[C@@H]2CCC[C@@H](Cl)C2)ccc1=O
InChIInChI=1S/C14H19ClN2O2/c1-2-17-9-12(6-7-13(17)18)16-14(19)10-4-3-5-11(15)8-10/h6-7,9-11H,2-5,8H2,1H3,(H,16,19)/t10-,11-/m1/s1
InChIKeyPPVQTXUOLKDVOO-GHMZBOCLSA-N
XLogP2.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.60
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

(2E,5E)-2-(chloromethylidene)-N-(1-ethyl-6-oxo-3-pyridinyl)-5-(fluoromethylidene)cyclohexane-1-carboxamide
CID 153398038
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-2-fluorocyclohexane-1-carboxamide
CID 166024018
3,4-dichloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
CID 166024050
3-chloro-4-cyano-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
CID 166024056
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorocyclohexane-1-carboxamide
CID 166024184
4-acetamido-3-chloro-N-[5-fluoro-1-(2-fluoroethyl)-6-oxo-3-pyridinyl]cyclohexane-1-carboxamide
CID 166024263
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-3-fluorocyclohexane-1-carboxamide
CID 166024353
2-Cyclohexyl-N-(6-hydroxy-pyridin-3-yl)-acetamide
CID 22047719
N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexanecarboxamide
CID 47255041
Cyclohexanecarboxylic Acid (6-hydroxy-pyridin-3-yl)-amide
CID 86589181
cis-(1S,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclopentane-1-carboxamide
CID 146323411
3,5-dichloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 166024091

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide (CID 146323412) is trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide is CCn1cc(NC(=O)[C@@H]2CCC[C@@H](Cl)C2)ccc1=O.
What is the InChIKey of trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is PPVQTXUOLKDVOO-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-17-9-12(6-7-13(17)18)16-14(19)10-4-3-5-11(15)8-10/h6-7,9-11H,2-5,8H2,1H3,(H,16,19)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide?
trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 146323412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).