3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide

C16H21N3O2 — CID 51106744

IUPAC3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCNC(=O)CC1C=CCC1)NCc1ccncc1
InChIInChI=1S/C16H21N3O2/c20-15(19-12-14-5-8-17-9-6-14)7-10-18-16(21)11-13-3-1-2-4-13/h1,3,5-6,8-9,13H,2,4,7,10-12H2,(H,18,21)(H,19,20)
InChIKeyATAJQWIUVDFFLP-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.56
Rot. Bonds7

About 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide

3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 51106744) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID51106744
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCNC(=O)CC1C=CCC1)NCc1ccncc1
InChIInChI=1S/C16H21N3O2/c20-15(19-12-14-5-8-17-9-6-14)7-10-18-16(21)11-13-3-1-2-4-13/h1,3,5-6,8-9,13H,2,4,7,10-12H2,(H,18,21)(H,19,20)
InChIKeyATAJQWIUVDFFLP-UHFFFAOYSA-N
XLogP1.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.56
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

2-[(1R)-cyclopent-2-en-1-yl]-N-[(4-pyridin-3-ylphenyl)methyl]acetamide
CID 97078512
2-cyclopent-2-en-1-yl-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385742
2-cyclopent-2-en-1-yl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 18119482
N-(3-aminopropyl)-2-cyclopent-2-en-1-ylacetamide
CID 62268451
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 34760296
2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 94806313
2-cyclopent-2-en-1-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 46456745
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-cyclopent-2-en-1-ylacetamide
CID 75380874
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 60849701
3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023814
2-[(1S)-cyclopent-2-en-1-yl]-N-[[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]acetamide
CID 52511200

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide (CID 51106744) is 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide is O=C(CCNC(=O)CC1C=CCC1)NCc1ccncc1.
What is the InChIKey of 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is ATAJQWIUVDFFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(19-12-14-5-8-17-9-6-14)7-10-18-16(21)11-13-3-1-2-4-13/h1,3,5-6,8-9,13H,2,4,7,10-12H2,(H,18,21)(H,19,20).
What are the key properties of 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide?
3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopent-2-en-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 51106744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).