N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide

C14H22N2O2 — CID 113351816

IUPACN-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NCCCCCCO
InChIInChI=1S/C14H22N2O2/c17-12-4-2-1-3-9-16-14(18)6-5-13-7-10-15-11-8-13/h7-8,10-11,17H,1-6,9,12H2,(H,16,18)
InChIKeyBFRKWBFKYCALSM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.68
Rot. Bonds9

About N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide

N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide (PubChem CID 113351816) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide
PubChem CID113351816
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NCCCCCCO
InChIInChI=1S/C14H22N2O2/c17-12-4-2-1-3-9-16-14(18)6-5-13-7-10-15-11-8-13/h7-8,10-11,17H,1-6,9,12H2,(H,16,18)
InChIKeyBFRKWBFKYCALSM-UHFFFAOYSA-N
XLogP1.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.68
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
5-(2-pyridin-4-ylethylamino)pentan-1-ol
CID 62228451
N-[2-(ethylamino)ethyl]-3-pyridin-4-ylpropanamide;dihydrochloride
CID 119506160
N-(5-hydroxypentyl)-2-pyridin-4-ylsulfanylacetamide
CID 107318881
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
CID 16789577
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903
N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 81478902
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
N-prop-2-enyl-3-pyridin-4-ylpropanamide
CID 110468372

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide?
The IUPAC name of N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide (CID 113351816) is N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide is O=C(CCc1ccncc1)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide?
The InChIKey is BFRKWBFKYCALSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-12-4-2-1-3-9-16-14(18)6-5-13-7-10-15-11-8-13/h7-8,10-11,17H,1-6,9,12H2,(H,16,18).
What are the key properties of N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide?
N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 113351816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).