N-(4,6-dimethyl-2-pyridinyl)hexanamide

C13H20N2O — CID 5075598

IUPACN-(4,6-dimethyl-2-pyridinyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C13H20N2O/c1-4-5-6-7-13(16)15-12-9-10(2)8-11(3)14-12/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyBINCYEUZLIUNAO-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.22
Rot. Bonds5

About N-(4,6-dimethyl-2-pyridinyl)hexanamide

N-(4,6-dimethyl-2-pyridinyl)hexanamide (PubChem CID 5075598) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)hexanamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)hexanamide
PubChem CID5075598
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)hexanamide
SMILESCCCCCC(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C13H20N2O/c1-4-5-6-7-13(16)15-12-9-10(2)8-11(3)14-12/h8-9H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyBINCYEUZLIUNAO-UHFFFAOYSA-N
XLogP3.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.22
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-(4,6-dimethyl-2-pyridinyl)hexanamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)hexanamide (CID 5075598) is N-(4,6-dimethyl-2-pyridinyl)hexanamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)hexanamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)hexanamide is CCCCCC(=O)Nc1cc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)hexanamide?
The InChIKey is BINCYEUZLIUNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-5-6-7-13(16)15-12-9-10(2)8-11(3)14-12/h8-9H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)hexanamide?
N-(4,6-dimethyl-2-pyridinyl)hexanamide has a molecular weight of 220.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)hexanamide is sourced from PubChem (CID 5075598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).