N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide

C13H21N3O — CID 113269953

IUPACN-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
SMILESCCCNCCNC(=O)CCc1ccccn1
InChIInChI=1S/C13H21N3O/c1-2-8-14-10-11-16-13(17)7-6-12-5-3-4-9-15-12/h3-5,9,14H,2,6-8,10-11H2,1H3,(H,16,17)
InChIKeyOCPHTUMGUOIMEX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.13
Rot. Bonds8

About N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide

N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide (PubChem CID 113269953) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
PubChem CID113269953
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
SMILESCCCNCCNC(=O)CCc1ccccn1
InChIInChI=1S/C13H21N3O/c1-2-8-14-10-11-16-13(17)7-6-12-5-3-4-9-15-12/h3-5,9,14H,2,6-8,10-11H2,1H3,(H,16,17)
InChIKeyOCPHTUMGUOIMEX-UHFFFAOYSA-N
XLogP1.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.13
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-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-[2-(ethylamino)ethyl]-2-pyridin-2-ylacetamide
CID 62659164
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81485895
3-bromo-N-[2-(3-pyridin-2-ylpropanoylamino)ethyl]benzamide
CID 60615561
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide
CID 131923133
3-(2-ethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 78805128

Frequently Asked Questions

What is the IUPAC name of N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide (CID 113269953) is N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide is CCCNCCNC(=O)CCc1ccccn1.
What is the InChIKey of N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide?
The InChIKey is OCPHTUMGUOIMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-8-14-10-11-16-13(17)7-6-12-5-3-4-9-15-12/h3-5,9,14H,2,6-8,10-11H2,1H3,(H,16,17).
What are the key properties of N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide?
N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 113269953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).