4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide

C16H26N2O3 — CID 18373119

IUPAC4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide
SMILESCCCCCCc1cccc(C(O)C(CO)CC(N)=O)n1
InChIInChI=1S/C16H26N2O3/c1-2-3-4-5-7-13-8-6-9-14(18-13)16(21)12(11-19)10-15(17)20/h6,8-9,12,16,19,21H,2-5,7,10-11H2,1H3,(H2,17,20)
InChIKeyWOVIMCGSITVULB-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.72
Rot. Bonds10

About 4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide

4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide (PubChem CID 18373119) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide.

Molecular Properties

Compound Name4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide
PubChem CID18373119
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide
SMILESCCCCCCc1cccc(C(O)C(CO)CC(N)=O)n1
InChIInChI=1S/C16H26N2O3/c1-2-3-4-5-7-13-8-6-9-14(18-13)16(21)12(11-19)10-15(17)20/h6,8-9,12,16,19,21H,2-5,7,10-11H2,1H3,(H2,17,20)
InChIKeyWOVIMCGSITVULB-UHFFFAOYSA-N
XLogP1.72
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide?
The IUPAC name of 4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide (CID 18373119) is 4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide.
What is the SMILES notation for 4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide?
The canonical SMILES for 4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide is CCCCCCc1cccc(C(O)C(CO)CC(N)=O)n1.
What is the InChIKey of 4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide?
The InChIKey is WOVIMCGSITVULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-3-4-5-7-13-8-6-9-14(18-13)16(21)12(11-19)10-15(17)20/h6,8-9,12,16,19,21H,2-5,7,10-11H2,1H3,(H2,17,20).
What are the key properties of 4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide?
4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide has a molecular weight of 294.39 g/mol, XLogP of 1.72, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hexyl-2-pyridinyl)-4-hydroxy-3-(hydroxymethyl)butanamide is sourced from PubChem (CID 18373119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).