(1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide

C14H18N2O2 — CID 34880061

IUPAC(1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide
SMILESCCOc1ncccc1NC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C14H18N2O2/c1-2-18-14-12(9-6-10-15-14)16-13(17)11-7-4-3-5-8-11/h3-4,6,9-11H,2,5,7-8H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyAVNYAEIQJDRNOU-NSHDSACASA-N
MW246.31 g/mol
LogP2.78
Rot. Bonds4

About (1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide

(1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide (PubChem CID 34880061) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide
PubChem CID34880061
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide
SMILESCCOc1ncccc1NC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C14H18N2O2/c1-2-18-14-12(9-6-10-15-14)16-13(17)11-7-4-3-5-8-11/h3-4,6,9-11H,2,5,7-8H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyAVNYAEIQJDRNOU-NSHDSACASA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678
2-(cyclopropylamino)-N-(2-ethoxy-3-pyridinyl)acetamide
CID 54923945
4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79210696
(2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944715
1-amino-N-(2-ethoxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 65467015
N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 43601055
(3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95775889
(3R)-N-(2-ethoxy-3-pyridinyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 34955432
2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
CID 114327859
N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55678773
2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide
CID 79809690
N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
CID 42907468

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide (CID 34880061) is (1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide is CCOc1ncccc1NC(=O)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is AVNYAEIQJDRNOU-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-18-14-12(9-6-10-15-14)16-13(17)11-7-4-3-5-8-11/h3-4,6,9-11H,2,5,7-8H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide?
(1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 34880061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).