N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide

C14H23N3O — CID 43600569

IUPACN-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
SMILESCCCCC(=O)NCCCNCc1cccnc1
InChIInChI=1S/C14H23N3O/c1-2-3-7-14(18)17-10-5-9-16-12-13-6-4-8-15-11-13/h4,6,8,11,16H,2-3,5,7,9-10,12H2,1H3,(H,17,18)
InChIKeyCPELFOISBHKBQL-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.87
Rot. Bonds9

About N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide

N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide (PubChem CID 43600569) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide.

Molecular Properties

Compound NameN-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
PubChem CID43600569
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
SMILESCCCCC(=O)NCCCNCc1cccnc1
InChIInChI=1S/C14H23N3O/c1-2-3-7-14(18)17-10-5-9-16-12-13-6-4-8-15-11-13/h4,6,8,11,16H,2-3,5,7,9-10,12H2,1H3,(H,17,18)
InChIKeyCPELFOISBHKBQL-UHFFFAOYSA-N
XLogP1.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563
N-butyl-2-(pyridin-3-ylmethylamino)acetamide
CID 60671469
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide
CID 43600543
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656
2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
CID 104872228
N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 43600549
N-butyl-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108957797

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide?
The IUPAC name of N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide (CID 43600569) is N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide.
What is the SMILES notation for N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide?
The canonical SMILES for N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide is CCCCC(=O)NCCCNCc1cccnc1.
What is the InChIKey of N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide?
The InChIKey is CPELFOISBHKBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-3-7-14(18)17-10-5-9-16-12-13-6-4-8-15-11-13/h4,6,8,11,16H,2-3,5,7,9-10,12H2,1H3,(H,17,18).
What are the key properties of N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide?
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide has a molecular weight of 249.36 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide is sourced from PubChem (CID 43600569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).