N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide

C14H19IN2O — CID 65098737

IUPACN-(5-iodo-2-pyridinyl)cyclooctanecarboxamide
SMILESO=C(Nc1ccc(I)cn1)C1CCCCCCC1
InChIInChI=1S/C14H19IN2O/c15-12-8-9-13(16-10-12)17-14(18)11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,16,17,18)
InChIKeyJHBJXVUXQRKEFO-UHFFFAOYSA-N
MW358.22 g/mol
LogP3.99
Rot. Bonds2

About N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide

N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide (PubChem CID 65098737) has the molecular formula C14H19IN2O and a molecular weight of 358.22 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)cyclooctanecarboxamide
PubChem CID65098737
Molecular FormulaC14H19IN2O
Molecular Weight358.22 g/mol
Exact Mass358.05
IUPAC NameN-(5-iodo-2-pyridinyl)cyclooctanecarboxamide
SMILESO=C(Nc1ccc(I)cn1)C1CCCCCCC1
InChIInChI=1S/C14H19IN2O/c15-12-8-9-13(16-10-12)17-14(18)11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,16,17,18)
InChIKeyJHBJXVUXQRKEFO-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide
CID 65098987
N-(5-amino-2-pyridinyl)cycloheptanecarboxamide
CID 62586115
(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
CID 103873257
6-(cyclopentanecarbonylamino)pyridine-3-carboxylic acid
CID 22099684
N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
CID 2931199
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide
CID 81098383
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 65098597
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide (CID 65098737) is N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide is O=C(Nc1ccc(I)cn1)C1CCCCCCC1.
What is the InChIKey of N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide?
The InChIKey is JHBJXVUXQRKEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O/c15-12-8-9-13(16-10-12)17-14(18)11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,16,17,18).
What are the key properties of N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide?
N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide has a molecular weight of 358.22 g/mol, XLogP of 3.99, 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)cyclooctanecarboxamide is sourced from PubChem (CID 65098737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).