4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide

C13H17N3O — CID 106935503

IUPAC4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide
SMILESCCN(C(=O)C1C=CC(N)C1)c1ccncc1
InChIInChI=1S/C13H17N3O/c1-2-16(12-5-7-15-8-6-12)13(17)10-3-4-11(14)9-10/h3-8,10-11H,2,9,14H2,1H3
InChIKeyLNJDRRWMUSAETJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.34
Rot. Bonds3

About 4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide

4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide (PubChem CID 106935503) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide
PubChem CID106935503
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide
SMILESCCN(C(=O)C1C=CC(N)C1)c1ccncc1
InChIInChI=1S/C13H17N3O/c1-2-16(12-5-7-15-8-6-12)13(17)10-3-4-11(14)9-10/h3-8,10-11H,2,9,14H2,1H3
InChIKeyLNJDRRWMUSAETJ-UHFFFAOYSA-N
XLogP1.34
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.34
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

4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide
CID 79207504
4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79211040
(2R)-2-amino-N-ethyl-N-pyridin-4-ylpropanamide
CID 106935605
4-amino-N-cyclohexyl-N-ethylcyclopent-2-ene-1-carboxamide
CID 79211073
N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106935509
4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide
CID 79210601
ethyl (1S,4R)-4-aminocyclopent-2-ene-1-carboxylate
CID 45090189
4-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopent-2-ene-1-carboxamide
CID 79210713
2-amino-N-ethyl-2-methyl-N-pyridin-4-ylbutanamide
CID 106935267
2-(azetidin-3-yl)-N-ethyl-N-pyridin-4-ylacetamide
CID 106935438
4-amino-N-ethyl-N-[(3-methylphenyl)methyl]cyclopent-2-ene-1-carboxamide
CID 79210719
ethyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 23508762

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide (CID 106935503) is 4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide is CCN(C(=O)C1C=CC(N)C1)c1ccncc1.
What is the InChIKey of 4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide?
The InChIKey is LNJDRRWMUSAETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-16(12-5-7-15-8-6-12)13(17)10-3-4-11(14)9-10/h3-8,10-11H,2,9,14H2,1H3.
What are the key properties of 4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide?
4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-pyridin-4-ylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 106935503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).