3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide

C15H20N2O2 — CID 110477352

IUPAC3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
SMILESCC(=O)CC(=O)NCC1(c2ccccn2)CCCC1
InChIInChI=1S/C15H20N2O2/c1-12(18)10-14(19)17-11-15(7-3-4-8-15)13-6-2-5-9-16-13/h2,5-6,9H,3-4,7-8,10-11H2,1H3,(H,17,19)
InChIKeyZHZJCFASJLJHBZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.99
Rot. Bonds5

About 3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide

3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide (PubChem CID 110477352) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
PubChem CID110477352
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
SMILESCC(=O)CC(=O)NCC1(c2ccccn2)CCCC1
InChIInChI=1S/C15H20N2O2/c1-12(18)10-14(19)17-11-15(7-3-4-8-15)13-6-2-5-9-16-13/h2,5-6,9H,3-4,7-8,10-11H2,1H3,(H,17,19)
InChIKeyZHZJCFASJLJHBZ-UHFFFAOYSA-N
XLogP1.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
CID 110478720
4-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]butanamide
CID 110479887
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
6-amino-N-[(1-pyridin-2-ylcyclopropyl)methyl]hexanamide
CID 110482606
N-[(1-pyridin-2-ylcyclopropyl)methyl]-2-thiophen-2-ylacetamide
CID 110483280
1-(2-methyltetrazol-5-yl)-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
CID 138054517
3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide
CID 86789127
4,4-difluoro-2-(hydroxymethyl)-N-[(1-pyridin-2-ylcyclobutyl)methyl]pyrrolidine-1-carboxamide
CID 154741750
(1-pyridin-2-ylcyclopentyl)methyl methanesulfonate
CID 86726091
N-[(1-pyridin-2-ylcyclopropyl)methyl]-2,3-dihydro-1H-indene-4-carboxamide
CID 126807843
tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
CID 154702927
2-oxo-N-[(1-pyridin-2-ylcyclobutyl)methyl]-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166250068

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide?
The IUPAC name of 3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide (CID 110477352) is 3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide.
What is the SMILES notation for 3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide?
The canonical SMILES for 3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide is CC(=O)CC(=O)NCC1(c2ccccn2)CCCC1.
What is the InChIKey of 3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide?
The InChIKey is ZHZJCFASJLJHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(18)10-14(19)17-11-15(7-3-4-8-15)13-6-2-5-9-16-13/h2,5-6,9H,3-4,7-8,10-11H2,1H3,(H,17,19).
What are the key properties of 3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide?
3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide has a molecular weight of 260.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide is sourced from PubChem (CID 110477352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).