3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide

C17H27N3O — CID 43600543

IUPAC3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide
SMILESO=C(CCC1CCCC1)NCCCNCc1cccnc1
InChIInChI=1S/C17H27N3O/c21-17(9-8-15-5-1-2-6-15)20-12-4-11-19-14-16-7-3-10-18-13-16/h3,7,10,13,15,19H,1-2,4-6,8-9,11-12,14H2,(H,20,21)
InChIKeyIDMMUBOMQWHWPO-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.65
Rot. Bonds9

About 3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide

3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide (PubChem CID 43600543) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide
PubChem CID43600543
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide
SMILESO=C(CCC1CCCC1)NCCCNCc1cccnc1
InChIInChI=1S/C17H27N3O/c21-17(9-8-15-5-1-2-6-15)20-12-4-11-19-14-16-7-3-10-18-13-16/h3,7,10,13,15,19H,1-2,4-6,8-9,11-12,14H2,(H,20,21)
InChIKeyIDMMUBOMQWHWPO-UHFFFAOYSA-N
XLogP2.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
N-(4-cyclopentylbutyl)-2-pyridin-3-ylacetamide
CID 71993774
1-(3-cyclopentylpropyl)-3-(pyridin-3-ylmethyl)urea
CID 86992722
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
CID 104872228
3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 86779908
3-piperidin-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62209973
1,1-dioxo-N-[3-(pyridin-3-ylmethylamino)propyl]thiolane-3-carboxamide
CID 43600587
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide (CID 43600543) is 3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide is O=C(CCC1CCCC1)NCCCNCc1cccnc1.
What is the InChIKey of 3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide?
The InChIKey is IDMMUBOMQWHWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c21-17(9-8-15-5-1-2-6-15)20-12-4-11-19-14-16-7-3-10-18-13-16/h3,7,10,13,15,19H,1-2,4-6,8-9,11-12,14H2,(H,20,21).
What are the key properties of 3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide?
3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide is sourced from PubChem (CID 43600543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).