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

C13H21N3O2 — CID 104593486

IUPACN-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide
SMILESCC(O)CNCCNC(=O)CCc1ccncc1
InChIInChI=1S/C13H21N3O2/c1-11(17)10-15-8-9-16-13(18)3-2-12-4-6-14-7-5-12/h4-7,11,15,17H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyOOWFICHLBADDKJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.10
Rot. Bonds8

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

N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide (PubChem CID 104593486) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide
PubChem CID104593486
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide
SMILESCC(O)CNCCNC(=O)CCc1ccncc1
InChIInChI=1S/C13H21N3O2/c1-11(17)10-15-8-9-16-13(18)3-2-12-4-6-14-7-5-12/h4-7,11,15,17H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyOOWFICHLBADDKJ-UHFFFAOYSA-N
XLogP0.10
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-4-ylpropanamide;dihydrochloride
CID 119506160
N-[2-(2-hydroxypropylamino)ethyl]-2-pyridin-3-ylacetamide
CID 113430432
N-(3-aminopropyl)-3-pyridin-4-ylpropanamide
CID 79018013
N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 81478902
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-pyridin-4-ylpropanamide
CID 109381247
N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide
CID 113351816
(2S)-1-(pyridin-4-ylmethylamino)propan-2-ol
CID 964925
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441
3-hydroxy-2-(3-pyridin-4-ylpropanoylamino)butanoic acid
CID 113269883
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593635
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide (CID 104593486) is N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide is CC(O)CNCCNC(=O)CCc1ccncc1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide?
The InChIKey is OOWFICHLBADDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11(17)10-15-8-9-16-13(18)3-2-12-4-6-14-7-5-12/h4-7,11,15,17H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide?
N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 104593486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).