N-(5-chloro-2-pyridinyl)hexanamide

C11H15ClN2O — CID 3241720

IUPACN-(5-chloro-2-pyridinyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H15ClN2O/c1-2-3-4-5-11(15)14-10-7-6-9(12)8-13-10/h6-8H,2-5H2,1H3,(H,13,14,15)
InChIKeyCVCIZTGVZDVLFD-UHFFFAOYSA-N
MW226.71 g/mol
LogP3.25
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)hexanamide

N-(5-chloro-2-pyridinyl)hexanamide (PubChem CID 3241720) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)hexanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)hexanamide
PubChem CID3241720
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(5-chloro-2-pyridinyl)hexanamide
SMILESCCCCCC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C11H15ClN2O/c1-2-3-4-5-11(15)14-10-7-6-9(12)8-13-10/h6-8H,2-5H2,1H3,(H,13,14,15)
InChIKeyCVCIZTGVZDVLFD-UHFFFAOYSA-N
XLogP3.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-2-pyridinyl)hexanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)hexanamide (CID 3241720) is N-(5-chloro-2-pyridinyl)hexanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)hexanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)hexanamide is CCCCCC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)hexanamide?
The InChIKey is CVCIZTGVZDVLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-2-3-4-5-11(15)14-10-7-6-9(12)8-13-10/h6-8H,2-5H2,1H3,(H,13,14,15).
What are the key properties of N-(5-chloro-2-pyridinyl)hexanamide?
N-(5-chloro-2-pyridinyl)hexanamide has a molecular weight of 226.71 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)hexanamide is sourced from PubChem (CID 3241720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).