N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide

C12H15IN2O2 — CID 71914233

IUPACN-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide
SMILESCc1nc(NC(=O)C2OCCC2C)ccc1I
InChIInChI=1S/C12H15IN2O2/c1-7-5-6-17-11(7)12(16)15-10-4-3-9(13)8(2)14-10/h3-4,7,11H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyASGLPZSNNLGOCN-UHFFFAOYSA-N
MW346.17 g/mol
LogP2.36
Rot. Bonds2

About N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide

N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide (PubChem CID 71914233) has the molecular formula C12H15IN2O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide
PubChem CID71914233
Molecular FormulaC12H15IN2O2
Molecular Weight346.17 g/mol
Exact Mass346.02
IUPAC NameN-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide
SMILESCc1nc(NC(=O)C2OCCC2C)ccc1I
InChIInChI=1S/C12H15IN2O2/c1-7-5-6-17-11(7)12(16)15-10-4-3-9(13)8(2)14-10/h3-4,7,11H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyASGLPZSNNLGOCN-UHFFFAOYSA-N
XLogP2.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide (CID 71914233) is N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide is Cc1nc(NC(=O)C2OCCC2C)ccc1I.
What is the InChIKey of N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide?
The InChIKey is ASGLPZSNNLGOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2/c1-7-5-6-17-11(7)12(16)15-10-4-3-9(13)8(2)14-10/h3-4,7,11H,5-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide?
N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide has a molecular weight of 346.17 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 71914233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).