N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide

C13H19N3O — CID 81478902

IUPACN-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NCCNC1CC1
InChIInChI=1S/C13H19N3O/c17-13(16-10-9-15-12-2-3-12)4-1-11-5-7-14-8-6-11/h5-8,12,15H,1-4,9-10H2,(H,16,17)
InChIKeyFEIDXMYNVQPXHZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.88
Rot. Bonds7

About N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide

N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide (PubChem CID 81478902) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide
PubChem CID81478902
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NCCNC1CC1
InChIInChI=1S/C13H19N3O/c17-13(16-10-9-15-12-2-3-12)4-1-11-5-7-14-8-6-11/h5-8,12,15H,1-4,9-10H2,(H,16,17)
InChIKeyFEIDXMYNVQPXHZ-UHFFFAOYSA-N
XLogP0.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.88
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-aminopropyl)-3-pyridin-4-ylpropanamide
CID 79018013
N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride
CID 119506160
N-(3-pyridin-4-ylpropyl)cyclopropanamine
CID 62549515
N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide
CID 113351816
N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 104593486
N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81485895
4-[(3-pyridin-4-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963619
N-prop-2-enyl-3-pyridin-4-ylpropanamide
CID 110468372
ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 109023796
N-(2-pyridin-4-ylethyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185930
N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide
CID 114289940
N-[2-(1H-imidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 115668506

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide (CID 81478902) is N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide is O=C(CCc1ccncc1)NCCNC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide?
The InChIKey is FEIDXMYNVQPXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(16-10-9-15-12-2-3-12)4-1-11-5-7-14-8-6-11/h5-8,12,15H,1-4,9-10H2,(H,16,17).
What are the key properties of N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide?
N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide has a molecular weight of 233.31 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 81478902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).