N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide

C16H19IN2O — CID 81098383

IUPACN-(5-iodo-2-pyridinyl)adamantane-2-carboxamide
SMILESO=C(Nc1ccc(I)cn1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H19IN2O/c17-13-1-2-14(18-8-13)19-16(20)15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,8-12,15H,3-7H2,(H,18,19,20)
InChIKeyBKECNBKNONUTIP-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.70
Rot. Bonds2

About N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide

N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide (PubChem CID 81098383) has the molecular formula C16H19IN2O and a molecular weight of 382.25 g/mol. Its IUPAC name is N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(5-iodo-2-pyridinyl)adamantane-2-carboxamide
PubChem CID81098383
Molecular FormulaC16H19IN2O
Molecular Weight382.25 g/mol
Exact Mass382.05
IUPAC NameN-(5-iodo-2-pyridinyl)adamantane-2-carboxamide
SMILESO=C(Nc1ccc(I)cn1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H19IN2O/c17-13-1-2-14(18-8-13)19-16(20)15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,8-12,15H,3-7H2,(H,18,19,20)
InChIKeyBKECNBKNONUTIP-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 65098597
N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide
CID 65098737
N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide
CID 65098987
N-(2-chloro-4-iodophenyl)adamantane-2-carboxamide
CID 107606833
(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
CID 103873257
N-(5-methyl-1H-pyrazol-3-yl)adamantane-2-carboxamide
CID 81096057
2-(1-adamantyl)-N-[(5-iodo-2-pyridinyl)carbamothioyl]acetamide
CID 2958999
3-(5-iodo-2-pyridinyl)-1,1-dimethylurea
CID 79153850
2-[cyclopropyl(ethyl)amino]-N-(5-iodo-2-pyridinyl)acetamide
CID 75438366
N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61364724
(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98280304
(1R,2R,4S)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40530150

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide?
The IUPAC name of N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide (CID 81098383) is N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide?
The canonical SMILES for N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide is O=C(Nc1ccc(I)cn1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide?
The InChIKey is BKECNBKNONUTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2O/c17-13-1-2-14(18-8-13)19-16(20)15-11-4-9-3-10(6-11)7-12(15)5-9/h1-2,8-12,15H,3-7H2,(H,18,19,20).
What are the key properties of N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide?
N-(5-iodo-2-pyridinyl)adamantane-2-carboxamide has a molecular weight of 382.25 g/mol, XLogP of 3.70, 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)adamantane-2-carboxamide is sourced from PubChem (CID 81098383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).