N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide

C13H20N2O2 — CID 107300042

IUPACN-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
SMILESCC(O)CCCNC(=O)CCc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-11(16)5-4-10-15-13(17)8-7-12-6-2-3-9-14-12/h2-3,6,9,11,16H,4-5,7-8,10H2,1H3,(H,15,17)
InChIKeyZEVSOAFCWZREQR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.29
Rot. Bonds7

About N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide

N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide (PubChem CID 107300042) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
PubChem CID107300042
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
SMILESCC(O)CCCNC(=O)CCc1ccccn1
InChIInChI=1S/C13H20N2O2/c1-11(16)5-4-10-15-13(17)8-7-12-6-2-3-9-14-12/h2-3,6,9,11,16H,4-5,7-8,10H2,1H3,(H,15,17)
InChIKeyZEVSOAFCWZREQR-UHFFFAOYSA-N
XLogP1.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.29
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

4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
3-methylsulfonyl-N-(3-pyridin-2-ylpropyl)propanamide
CID 131923133
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 113269953
N-[2-(methylamino)propyl]-3-pyridin-2-ylpropanamide;dihydrochloride
CID 120832475
N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
CID 81043461
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide (CID 107300042) is N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide is CC(O)CCCNC(=O)CCc1ccccn1.
What is the InChIKey of N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide?
The InChIKey is ZEVSOAFCWZREQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(16)5-4-10-15-13(17)8-7-12-6-2-3-9-14-12/h2-3,6,9,11,16H,4-5,7-8,10H2,1H3,(H,15,17).
What are the key properties of N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide?
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 107300042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).