N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride

C12H21Cl2N3O — CID 119506160

IUPACN-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride
SMILESCCNCCNC(=O)CCc1ccncc1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-2-13-9-10-15-12(16)4-3-11-5-7-14-8-6-11;;/h5-8,13H,2-4,9-10H2,1H3,(H,15,16);2*1H
InChIKeyMJVOZILWEFVTTO-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.58
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride

N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride (PubChem CID 119506160) has the molecular formula C12H21Cl2N3O and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride
PubChem CID119506160
Molecular FormulaC12H21Cl2N3O
Molecular Weight294.23 g/mol
Exact Mass293.11
IUPAC NameN-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride
SMILESCCNCCNC(=O)CCc1ccncc1.Cl.Cl
InChIInChI=1S/C12H19N3O.2ClH/c1-2-13-9-10-15-12(16)4-3-11-5-7-14-8-6-11;;/h5-8,13H,2-4,9-10H2,1H3,(H,15,16);2*1H
InChIKeyMJVOZILWEFVTTO-UHFFFAOYSA-N
XLogP1.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.58
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-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 104593486
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353
N-(3-aminopropyl)-3-pyridin-4-ylpropanamide
CID 79018013
N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 81478902
N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide
CID 113351816
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
N-ethyl-2-(2-pyridin-4-ylethylamino)acetamide
CID 60863475
N-prop-2-enyl-3-pyridin-4-ylpropanamide
CID 110468372
N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 115668506
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride (CID 119506160) is N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride is CCNCCNC(=O)CCc1ccncc1.Cl.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride?
The InChIKey is MJVOZILWEFVTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.2ClH/c1-2-13-9-10-15-12(16)4-3-11-5-7-14-8-6-11;;/h5-8,13H,2-4,9-10H2,1H3,(H,15,16);2*1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride?
N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride has a molecular weight of 294.23 g/mol, XLogP of 1.58, 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-4-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119506160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).