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

C13H17N3O — CID 79210601

IUPAC4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide
SMILESCC(NC(=O)C1C=CC(N)C1)c1ccncc1
InChIInChI=1S/C13H17N3O/c1-9(10-4-6-15-7-5-10)16-13(17)11-2-3-12(14)8-11/h2-7,9,11-12H,8,14H2,1H3,(H,16,17)
InChIKeyZEJBRTUMKODJDX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.16
Rot. Bonds3

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

4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide (PubChem CID 79210601) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide
PubChem CID79210601
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide
SMILESCC(NC(=O)C1C=CC(N)C1)c1ccncc1
InChIInChI=1S/C13H17N3O/c1-9(10-4-6-15-7-5-10)16-13(17)11-2-3-12(14)8-11/h2-7,9,11-12H,8,14H2,1H3,(H,16,17)
InChIKeyZEJBRTUMKODJDX-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
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-amino-N-[(1R)-1-pyridin-4-ylethyl]cyclopent-2-ene-1-carboxamide
CID 81410168
4-amino-N-(1-phenylethyl)cyclopent-2-ene-1-carboxamide
CID 79210742
4-amino-N-[1-(4-methylphenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210630
4-amino-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopent-2-ene-1-carboxamide
CID 81397672
2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]propanoic acid
CID 79207585
3-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 81395475
(1R,2S,3S,4R)-3-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98295870
(1R,2R,3R,4R)-3-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124714301
(1R,2S,3R,4S)-3-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99703975
N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-carboxamide
CID 81409992
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide
CID 79211583
4-amino-N-(1,1-dimethoxypropan-2-yl)cyclopent-2-ene-1-carboxamide
CID 79207526

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide (CID 79210601) is 4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide is CC(NC(=O)C1C=CC(N)C1)c1ccncc1.
What is the InChIKey of 4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide?
The InChIKey is ZEJBRTUMKODJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(10-4-6-15-7-5-10)16-13(17)11-2-3-12(14)8-11/h2-7,9,11-12H,8,14H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide?
4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-pyridin-4-ylethyl)cyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).