4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide

C13H17N3O — CID 79210356

IUPAC4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCCc2ccccn2)C1
InChIInChI=1S/C13H17N3O/c14-11-5-4-10(9-11)13(17)16-8-6-12-3-1-2-7-15-12/h1-5,7,10-11H,6,8-9,14H2,(H,16,17)
InChIKeyWZLIMIOMDVQBAH-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.64
Rot. Bonds4

About 4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide

4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210356) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79210356
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide
SMILESNC1C=CC(C(=O)NCCc2ccccn2)C1
InChIInChI=1S/C13H17N3O/c14-11-5-4-10(9-11)13(17)16-8-6-12-3-1-2-7-15-12/h1-5,7,10-11H,6,8-9,14H2,(H,16,17)
InChIKeyWZLIMIOMDVQBAH-UHFFFAOYSA-N
XLogP0.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.64
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

N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
4-(2-pyridin-2-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216900
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
CID 155501002
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 95243220
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
4-amino-N-(quinolin-8-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 81427878
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide (CID 79210356) is 4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide is NC1C=CC(C(=O)NCCc2ccccn2)C1.
What is the InChIKey of 4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is WZLIMIOMDVQBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-11-5-4-10(9-11)13(17)16-8-6-12-3-1-2-7-15-12/h1-5,7,10-11H,6,8-9,14H2,(H,16,17).
What are the key properties of 4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-pyridin-2-ylethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).