N-(3-aminopropyl)-3-pyridin-4-ylpropanamide

C11H17N3O — CID 79018013

IUPACN-(3-aminopropyl)-3-pyridin-4-ylpropanamide
SMILESNCCCNC(=O)CCc1ccncc1
InChIInChI=1S/C11H17N3O/c12-6-1-7-14-11(15)3-2-10-4-8-13-9-5-10/h4-5,8-9H,1-3,6-7,12H2,(H,14,15)
InChIKeyVTACYVCRTVJRIR-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.48
Rot. Bonds6

About N-(3-aminopropyl)-3-pyridin-4-ylpropanamide

N-(3-aminopropyl)-3-pyridin-4-ylpropanamide (PubChem CID 79018013) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-pyridin-4-ylpropanamide
PubChem CID79018013
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(3-aminopropyl)-3-pyridin-4-ylpropanamide
SMILESNCCCNC(=O)CCc1ccncc1
InChIInChI=1S/C11H17N3O/c12-6-1-7-14-11(15)3-2-10-4-8-13-9-5-10/h4-5,8-9H,1-3,6-7,12H2,(H,14,15)
InChIKeyVTACYVCRTVJRIR-UHFFFAOYSA-N
XLogP0.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.48
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-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide
CID 113351816
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376
N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride
CID 119506160
N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 81478902
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
N-prop-2-enyl-3-pyridin-4-ylpropanamide
CID 110468372
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 104593486
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 115668506
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-pyridin-4-ylpropanamide (CID 79018013) is N-(3-aminopropyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-pyridin-4-ylpropanamide is NCCCNC(=O)CCc1ccncc1.
What is the InChIKey of N-(3-aminopropyl)-3-pyridin-4-ylpropanamide?
The InChIKey is VTACYVCRTVJRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-6-1-7-14-11(15)3-2-10-4-8-13-9-5-10/h4-5,8-9H,1-3,6-7,12H2,(H,14,15).
What are the key properties of N-(3-aminopropyl)-3-pyridin-4-ylpropanamide?
N-(3-aminopropyl)-3-pyridin-4-ylpropanamide has a molecular weight of 207.28 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 79018013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).