2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide

C13H17N3O — CID 107339064

IUPAC2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide
SMILESNc1ccc(CC(=O)NC2CC=CCC2)nc1
InChIInChI=1S/C13H17N3O/c14-10-6-7-12(15-9-10)8-13(17)16-11-4-2-1-3-5-11/h1-2,6-7,9,11H,3-5,8,14H2,(H,16,17)
InChIKeyMBVUHMYEVUCPJD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.43
Rot. Bonds3

About 2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide

2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide (PubChem CID 107339064) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide
PubChem CID107339064
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide
SMILESNc1ccc(CC(=O)NC2CC=CCC2)nc1
InChIInChI=1S/C13H17N3O/c14-10-6-7-12(15-9-10)8-13(17)16-11-4-2-1-3-5-11/h1-2,6-7,9,11H,3-5,8,14H2,(H,16,17)
InChIKeyMBVUHMYEVUCPJD-UHFFFAOYSA-N
XLogP1.43
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide
CID 107337718
2-(5-amino-2-pyridinyl)-N-(4,4-dimethylcyclohexyl)acetamide;hydrochloride
CID 120633539
2-(5-amino-2-pyridinyl)-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 107337839
2-(5-amino-2-pyridinyl)-N-(oxolan-3-yl)acetamide
CID 107339286
2-(5-amino-2-pyridinyl)-N-(thiolan-3-yl)acetamide
CID 107339832
2-(5-amino-2-pyridinyl)-N-(2-methylcycloheptyl)acetamide
CID 107339059
2-(5-amino-2-pyridinyl)-N-(2-bicyclo[2.2.1]heptanyl)acetamide;hydrochloride
CID 120633899
2-(5-amino-2-pyridinyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 120618487
2-(5-amino-2-pyridinyl)-N-(2-methoxycyclopentyl)acetamide
CID 107338628
2-(5-amino-2-pyridinyl)-N-(2-tert-butylcyclohexyl)acetamide;hydrochloride
CID 120621478
2-(5-amino-2-pyridinyl)-N-(3-ethyl-2-methylcyclopentyl)acetamide
CID 107338994
2-(5-amino-2-pyridinyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide;dihydrochloride
CID 120643499

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide (CID 107339064) is 2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide is Nc1ccc(CC(=O)NC2CC=CCC2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide?
The InChIKey is MBVUHMYEVUCPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-10-6-7-12(15-9-10)8-13(17)16-11-4-2-1-3-5-11/h1-2,6-7,9,11H,3-5,8,14H2,(H,16,17).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide?
2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide has a molecular weight of 231.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-cyclohex-3-en-1-ylacetamide is sourced from PubChem (CID 107339064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).