4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide

C13H17N3O2 — CID 79210696

IUPAC4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide
SMILESCCOc1ncccc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H17N3O2/c1-2-18-13-11(4-3-7-15-13)16-12(17)9-5-6-10(14)8-9/h3-7,9-10H,2,8,14H2,1H3,(H,16,17)
InChIKeyFAXRZRASSBCNGT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.32
Rot. Bonds4

About 4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210696) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide
PubChem CID79210696
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide
SMILESCCOc1ncccc1NC(=O)C1C=CC(N)C1
InChIInChI=1S/C13H17N3O2/c1-2-18-13-11(4-3-7-15-13)16-12(17)9-5-6-10(14)8-9/h3-7,9-10H,2,8,14H2,1H3,(H,16,17)
InChIKeyFAXRZRASSBCNGT-UHFFFAOYSA-N
XLogP1.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
(1R)-N-(2-ethoxy-3-pyridinyl)cyclohex-3-ene-1-carboxamide
CID 34880061
4-amino-N-(3-methyl-2-pyridinyl)cyclopent-2-ene-1-carboxamide
CID 79211315
4-amino-N-(2-propan-2-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211306
4-amino-N-[2-methyl-3-(propanoylamino)phenyl]cyclopent-2-ene-1-carboxamide
CID 79208809
2-(cyclopropylamino)-N-(2-ethoxy-3-pyridinyl)acetamide
CID 54923945
(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
4-amino-N-(2,3-dimethylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211393
2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide
CID 79809690
trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95279310
2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
CID 114327859

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide (CID 79210696) is 4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide is CCOc1ncccc1NC(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is FAXRZRASSBCNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-18-13-11(4-3-7-15-13)16-12(17)9-5-6-10(14)8-9/h3-7,9-10H,2,8,14H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxy-3-pyridinyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).