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

C12H15IN2O — CID 65098987

IUPACN-(5-iodo-2-pyridinyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(I)cn1)C1CCCCC1
InChIInChI=1S/C12H15IN2O/c13-10-6-7-11(14-8-10)15-12(16)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,15,16)
InChIKeyISKGZRZRTOTLQG-UHFFFAOYSA-N
MW330.17 g/mol
LogP3.20
Rot. Bonds2

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

N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide (PubChem CID 65098987) has the molecular formula C12H15IN2O and a molecular weight of 330.17 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)cyclohexanecarboxamide
PubChem CID65098987
Molecular FormulaC12H15IN2O
Molecular Weight330.17 g/mol
Exact Mass330.02
IUPAC NameN-(5-iodo-2-pyridinyl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc(I)cn1)C1CCCCC1
InChIInChI=1S/C12H15IN2O/c13-10-6-7-11(14-8-10)15-12(16)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,15,16)
InChIKeyISKGZRZRTOTLQG-UHFFFAOYSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 53.20
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)cyclooctanecarboxamide
CID 65098737
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)cyclohexanecarboxamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide (CID 65098987) is N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide is O=C(Nc1ccc(I)cn1)C1CCCCC1.
What is the InChIKey of N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide?
The InChIKey is ISKGZRZRTOTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O/c13-10-6-7-11(14-8-10)15-12(16)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,15,16).
What are the key properties of N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide?
N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide has a molecular weight of 330.17 g/mol, XLogP of 3.20, 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)cyclohexanecarboxamide is sourced from PubChem (CID 65098987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).