4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide

C12H17ClN2O2 — CID 86304109

IUPAC4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide
SMILESCc1nc(NC(=O)CCCCl)c(C)c(C)c1O
InChIInChI=1S/C12H17ClN2O2/c1-7-8(2)12(14-9(3)11(7)17)15-10(16)5-4-6-13/h17H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyBJAHUJBQFOFBQP-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.67
Rot. Bonds4

About 4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide

4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide (PubChem CID 86304109) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide
PubChem CID86304109
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide
SMILESCc1nc(NC(=O)CCCCl)c(C)c(C)c1O
InChIInChI=1S/C12H17ClN2O2/c1-7-8(2)12(14-9(3)11(7)17)15-10(16)5-4-6-13/h17H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyBJAHUJBQFOFBQP-UHFFFAOYSA-N
XLogP2.67
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide?
The IUPAC name of 4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide (CID 86304109) is 4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide is Cc1nc(NC(=O)CCCCl)c(C)c(C)c1O.
What is the InChIKey of 4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide?
The InChIKey is BJAHUJBQFOFBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-7-8(2)12(14-9(3)11(7)17)15-10(16)5-4-6-13/h17H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide?
4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide has a molecular weight of 256.73 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-hydroxy-3,4,6-trimethyl-2-pyridinyl)butanamide is sourced from PubChem (CID 86304109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).