(2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide

C11H15IN2O — CID 124608819

IUPAC(2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1ccc(I)c(C)n1
InChIInChI=1S/C11H15IN2O/c1-4-7(2)11(15)14-10-6-5-9(12)8(3)13-10/h5-7H,4H2,1-3H3,(H,13,14,15)/t7-/m0/s1
InChIKeyLLYVNUYXIOHCSD-ZETCQYMHSA-N
MW318.16 g/mol
LogP2.98
Rot. Bonds3

About (2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide

(2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide (PubChem CID 124608819) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is (2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide
PubChem CID124608819
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name(2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide
SMILESCC[C@H](C)C(=O)Nc1ccc(I)c(C)n1
InChIInChI=1S/C11H15IN2O/c1-4-7(2)11(15)14-10-6-5-9(12)8(3)13-10/h5-7H,4H2,1-3H3,(H,13,14,15)/t7-/m0/s1
InChIKeyLLYVNUYXIOHCSD-ZETCQYMHSA-N
XLogP2.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide?
The IUPAC name of (2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide (CID 124608819) is (2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide.
What is the SMILES notation for (2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide?
The canonical SMILES for (2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide is CC[C@H](C)C(=O)Nc1ccc(I)c(C)n1.
What is the InChIKey of (2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide?
The InChIKey is LLYVNUYXIOHCSD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-4-7(2)11(15)14-10-6-5-9(12)8(3)13-10/h5-7H,4H2,1-3H3,(H,13,14,15)/t7-/m0/s1.
What are the key properties of (2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide?
(2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide has a molecular weight of 318.16 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-iodo-6-methyl-2-pyridinyl)-2-methylbutanamide is sourced from PubChem (CID 124608819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).