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

C17H29N3O — CID 43600563

IUPACN-[3-(pyridin-3-ylmethylamino)propyl]octanamide
SMILESCCCCCCCC(=O)NCCCNCc1cccnc1
InChIInChI=1S/C17H29N3O/c1-2-3-4-5-6-10-17(21)20-13-8-12-19-15-16-9-7-11-18-14-16/h7,9,11,14,19H,2-6,8,10,12-13,15H2,1H3,(H,20,21)
InChIKeyDQDIAEFKNQMVGP-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.04
Rot. Bonds12

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

N-[3-(pyridin-3-ylmethylamino)propyl]octanamide (PubChem CID 43600563) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[3-(pyridin-3-ylmethylamino)propyl]octanamide.

Molecular Properties

Compound NameN-[3-(pyridin-3-ylmethylamino)propyl]octanamide
PubChem CID43600563
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[3-(pyridin-3-ylmethylamino)propyl]octanamide
SMILESCCCCCCCC(=O)NCCCNCc1cccnc1
InChIInChI=1S/C17H29N3O/c1-2-3-4-5-6-10-17(21)20-13-8-12-19-15-16-9-7-11-18-14-16/h7,9,11,14,19H,2-6,8,10,12-13,15H2,1H3,(H,20,21)
InChIKeyDQDIAEFKNQMVGP-UHFFFAOYSA-N
XLogP3.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.04
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-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
N-butyl-2-(pyridin-3-ylmethylamino)acetamide
CID 60671469
N-(pyridin-3-ylmethyl)octan-1-amine;hydrochloride
CID 17331176
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008
3-cyclopentyl-N-[3-(pyridin-3-ylmethylamino)propyl]propanamide
CID 43600543
N-(3-phenylpropyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023651
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656
1-[(Z)-heptadec-8-enyl]-3-(pyridin-3-ylmethyl)urea
CID 71770552
2,2-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]cyclopropane-1-carboxamide
CID 104872228

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-3-ylmethylamino)propyl]octanamide?
The IUPAC name of N-[3-(pyridin-3-ylmethylamino)propyl]octanamide (CID 43600563) is N-[3-(pyridin-3-ylmethylamino)propyl]octanamide.
What is the SMILES notation for N-[3-(pyridin-3-ylmethylamino)propyl]octanamide?
The canonical SMILES for N-[3-(pyridin-3-ylmethylamino)propyl]octanamide is CCCCCCCC(=O)NCCCNCc1cccnc1.
What is the InChIKey of N-[3-(pyridin-3-ylmethylamino)propyl]octanamide?
The InChIKey is DQDIAEFKNQMVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-3-4-5-6-10-17(21)20-13-8-12-19-15-16-9-7-11-18-14-16/h7,9,11,14,19H,2-6,8,10,12-13,15H2,1H3,(H,20,21).
What are the key properties of N-[3-(pyridin-3-ylmethylamino)propyl]octanamide?
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide has a molecular weight of 291.44 g/mol, XLogP of 3.04, 12 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]octanamide is sourced from PubChem (CID 43600563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).