N-(5-hydroxy-2-pyridinyl)-7-methyloctanamide

C14H22N2O2 — CID 135137574

IUPACN-(5-hydroxy-2-pyridinyl)-7-methyloctanamide
SMILESCC(C)CCCCCC(=O)Nc1ccc(O)cn1
InChIInChI=1S/C14H22N2O2/c1-11(2)6-4-3-5-7-14(18)16-13-9-8-12(17)10-15-13/h8-11,17H,3-7H2,1-2H3,(H,15,16,18)
InChIKeySGRNXNAJGRDAAB-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.33
Rot. Bonds7

About N-(5-hydroxy-2-pyridinyl)-7-methyloctanamide

N-(5-hydroxy-2-pyridinyl)-7-methyloctanamide (PubChem CID 135137574) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(5-hydroxy-2-pyridinyl)-7-methyloctanamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-pyridinyl)-7-methyloctanamide
PubChem CID135137574
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(5-hydroxy-2-pyridinyl)-7-methyloctanamide
SMILESCC(C)CCCCCC(=O)Nc1ccc(O)cn1
InChIInChI=1S/C14H22N2O2/c1-11(2)6-4-3-5-7-14(18)16-13-9-8-12(17)10-15-13/h8-11,17H,3-7H2,1-2H3,(H,15,16,18)
InChIKeySGRNXNAJGRDAAB-UHFFFAOYSA-N
XLogP3.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.33
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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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-pyridinyl)-7-methyloctanamide?
The IUPAC name of N-(5-hydroxy-2-pyridinyl)-7-methyloctanamide (CID 135137574) is N-(5-hydroxy-2-pyridinyl)-7-methyloctanamide.
What is the SMILES notation for N-(5-hydroxy-2-pyridinyl)-7-methyloctanamide?
The canonical SMILES for N-(5-hydroxy-2-pyridinyl)-7-methyloctanamide is CC(C)CCCCCC(=O)Nc1ccc(O)cn1.
What is the InChIKey of N-(5-hydroxy-2-pyridinyl)-7-methyloctanamide?
The InChIKey is SGRNXNAJGRDAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)6-4-3-5-7-14(18)16-13-9-8-12(17)10-15-13/h8-11,17H,3-7H2,1-2H3,(H,15,16,18).
What are the key properties of N-(5-hydroxy-2-pyridinyl)-7-methyloctanamide?
N-(5-hydroxy-2-pyridinyl)-7-methyloctanamide has a molecular weight of 250.34 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-pyridinyl)-7-methyloctanamide is sourced from PubChem (CID 135137574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).