N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide

C11H14Cl2N2O — CID 540293

IUPACN-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide
SMILESCCCC(=O)Nc1c(Cl)nc(C)c(Cl)c1C
InChIInChI=1S/C11H14Cl2N2O/c1-4-5-8(16)15-10-6(2)9(12)7(3)14-11(10)13/h4-5H2,1-3H3,(H,15,16)
InChIKeyINEDJAHTRDMHTC-UHFFFAOYSA-N
MW261.15 g/mol
LogP3.74
Rot. Bonds3

About N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide

N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide (PubChem CID 540293) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide
PubChem CID540293
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC NameN-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide
SMILESCCCC(=O)Nc1c(Cl)nc(C)c(Cl)c1C
InChIInChI=1S/C11H14Cl2N2O/c1-4-5-8(16)15-10-6(2)9(12)7(3)14-11(10)13/h4-5H2,1-3H3,(H,15,16)
InChIKeyINEDJAHTRDMHTC-UHFFFAOYSA-N
XLogP3.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide?
The IUPAC name of N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide (CID 540293) is N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide.
What is the SMILES notation for N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide?
The canonical SMILES for N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide is CCCC(=O)Nc1c(Cl)nc(C)c(Cl)c1C.
What is the InChIKey of N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide?
The InChIKey is INEDJAHTRDMHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-4-5-8(16)15-10-6(2)9(12)7(3)14-11(10)13/h4-5H2,1-3H3,(H,15,16).
What are the key properties of N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide?
N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide has a molecular weight of 261.15 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4,6-dimethyl-3-pyridinyl)butanamide is sourced from PubChem (CID 540293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).