7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide

C13H19IN2O2 — CID 159539505

IUPAC7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide
SMILESCNC(=O)CCCCCCOc1ccc(I)cn1
InChIInChI=1S/C13H19IN2O2/c1-15-12(17)6-4-2-3-5-9-18-13-8-7-11(14)10-16-13/h7-8,10H,2-6,9H2,1H3,(H,15,17)
InChIKeyCSIXYFATUKXGFD-UHFFFAOYSA-N
MW362.21 g/mol
LogP2.76
Rot. Bonds8

About 7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide

7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide (PubChem CID 159539505) has the molecular formula C13H19IN2O2 and a molecular weight of 362.21 g/mol. Its IUPAC name is 7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide.

Molecular Properties

Compound Name7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide
PubChem CID159539505
Molecular FormulaC13H19IN2O2
Molecular Weight362.21 g/mol
Exact Mass362.05
IUPAC Name7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide
SMILESCNC(=O)CCCCCCOc1ccc(I)cn1
InChIInChI=1S/C13H19IN2O2/c1-15-12(17)6-4-2-3-5-9-18-13-8-7-11(14)10-16-13/h7-8,10H,2-6,9H2,1H3,(H,15,17)
InChIKeyCSIXYFATUKXGFD-UHFFFAOYSA-N
XLogP2.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide?
The IUPAC name of 7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide (CID 159539505) is 7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide.
What is the SMILES notation for 7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide?
The canonical SMILES for 7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide is CNC(=O)CCCCCCOc1ccc(I)cn1.
What is the InChIKey of 7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide?
The InChIKey is CSIXYFATUKXGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O2/c1-15-12(17)6-4-2-3-5-9-18-13-8-7-11(14)10-16-13/h7-8,10H,2-6,9H2,1H3,(H,15,17).
What are the key properties of 7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide?
7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide has a molecular weight of 362.21 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-iodo-2-pyridinyl)oxy]-N-methylheptanamide is sourced from PubChem (CID 159539505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).