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

C12H19N3O — CID 81479078

IUPACN-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
SMILESCCNCCNC(=O)CCc1ccccn1
InChIInChI=1S/C12H19N3O/c1-2-13-9-10-15-12(16)7-6-11-5-3-4-8-14-11/h3-5,8,13H,2,6-7,9-10H2,1H3,(H,15,16)
InChIKeyQJBAWEQDUNPUSU-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.74
Rot. Bonds7

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

N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide (PubChem CID 81479078) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
PubChem CID81479078
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
SMILESCCNCCNC(=O)CCc1ccccn1
InChIInChI=1S/C12H19N3O/c1-2-13-9-10-15-12(16)7-6-11-5-3-4-8-14-11/h3-5,8,13H,2,6-7,9-10H2,1H3,(H,15,16)
InChIKeyQJBAWEQDUNPUSU-UHFFFAOYSA-N
XLogP0.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.74
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-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 113269953
N-[2-(ethylamino)ethyl]-2-pyridin-2-ylacetamide
CID 62659164
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
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
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide
CID 131923133

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide (CID 81479078) is N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide is CCNCCNC(=O)CCc1ccccn1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide?
The InChIKey is QJBAWEQDUNPUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-13-9-10-15-12(16)7-6-11-5-3-4-8-14-11/h3-5,8,13H,2,6-7,9-10H2,1H3,(H,15,16).
What are the key properties of N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide?
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 81479078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).