N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

C13H15IN2O — CID 65098597

IUPACN-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(I)cn1)C1CC2CCC1C2
InChIInChI=1S/C13H15IN2O/c14-10-3-4-12(15-7-10)16-13(17)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2,(H,15,16,17)
InChIKeyGORFTYVRTYHSHU-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.06
Rot. Bonds2

About N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 65098597) has the molecular formula C13H15IN2O and a molecular weight of 342.18 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID65098597
Molecular FormulaC13H15IN2O
Molecular Weight342.18 g/mol
Exact Mass342.02
IUPAC NameN-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(I)cn1)C1CC2CCC1C2
InChIInChI=1S/C13H15IN2O/c14-10-3-4-12(15-7-10)16-13(17)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2,(H,15,16,17)
InChIKeyGORFTYVRTYHSHU-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.06
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 N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 65098597) is N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccc(I)cn1)C1CC2CCC1C2.
What is the InChIKey of N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GORFTYVRTYHSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O/c14-10-3-4-12(15-7-10)16-13(17)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6H2,(H,15,16,17).
What are the key properties of N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 342.18 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 65098597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).