N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide

C11H13IN2O — CID 119042245

IUPACN-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide
SMILESCc1nc(NC(=O)C2CCC2)ccc1I
InChIInChI=1S/C11H13IN2O/c1-7-9(12)5-6-10(13-7)14-11(15)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,13,14,15)
InChIKeyDGLGRTYFQVUDIB-UHFFFAOYSA-N
MW316.14 g/mol
LogP2.73
Rot. Bonds2

About N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide

N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide (PubChem CID 119042245) has the molecular formula C11H13IN2O and a molecular weight of 316.14 g/mol. Its IUPAC name is N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide
PubChem CID119042245
Molecular FormulaC11H13IN2O
Molecular Weight316.14 g/mol
Exact Mass316.01
IUPAC NameN-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide
SMILESCc1nc(NC(=O)C2CCC2)ccc1I
InChIInChI=1S/C11H13IN2O/c1-7-9(12)5-6-10(13-7)14-11(15)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,13,14,15)
InChIKeyDGLGRTYFQVUDIB-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide 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-6-methyl-2-pyridinyl)-2-oxopiperidine-4-carboxamide
CID 119042893
N-(5-iodo-6-methyl-2-pyridinyl)-3-methyloxolane-2-carboxamide
CID 71914233
trans-methyl (1R,3R)-3-[(5-bromo-6-methyl-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylate
CID 124608797
N-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 79048485
N-[6-(cyclohexanecarbonylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 5223932
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605
N-(5-iodo-6-methyl-2-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75448255
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide
CID 65098987
N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide
CID 65098737
N-quinolin-2-ylcyclopentanecarboxamide
CID 39959364
N-(4-methylpyrimidin-2-yl)cyclobutanecarboxamide
CID 836596

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide?
The IUPAC name of N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide (CID 119042245) is N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide?
The canonical SMILES for N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide is Cc1nc(NC(=O)C2CCC2)ccc1I.
What is the InChIKey of N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide?
The InChIKey is DGLGRTYFQVUDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O/c1-7-9(12)5-6-10(13-7)14-11(15)8-3-2-4-8/h5-6,8H,2-4H2,1H3,(H,13,14,15).
What are the key properties of N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide?
N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide has a molecular weight of 316.14 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-6-methyl-2-pyridinyl)cyclobutanecarboxamide is sourced from PubChem (CID 119042245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).