N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide

C14H13IN2O — CID 115750615

IUPACN-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C14H13IN2O/c1-9-7-10(2)16-13(8-9)17-14(18)11-3-5-12(15)6-4-11/h3-8H,1-2H3,(H,16,17,18)
InChIKeyJSCGXGWZNNZFAV-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.56
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide

N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide (PubChem CID 115750615) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide
PubChem CID115750615
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(I)cc2)c1
InChIInChI=1S/C14H13IN2O/c1-9-7-10(2)16-13(8-9)17-14(18)11-3-5-12(15)6-4-11/h3-8H,1-2H3,(H,16,17,18)
InChIKeyJSCGXGWZNNZFAV-UHFFFAOYSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.56
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

4-cyano-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 14593012
4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
N-(4,6-dimethyl-2-pyridinyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114933274
N-(4,6-dimethyl-2-pyridinyl)-3,4,5-trifluorobenzamide
CID 115750579
3-acetamido-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 13177101
N-(4,6-dimethyl-2-pyridinyl)-2-hydroxybenzamide
CID 13440640
4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide
CID 3565218
N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 114932174
N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
CID 60629541
2,6-dichloro-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 5099860
N-(4,6-dimethyl-2-pyridinyl)-2-(ethylamino)pyridine-4-carboxamide
CID 115750707
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide (CID 115750615) is N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide is Cc1cc(C)nc(NC(=O)c2ccc(I)cc2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide?
The InChIKey is JSCGXGWZNNZFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c1-9-7-10(2)16-13(8-9)17-14(18)11-3-5-12(15)6-4-11/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide?
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide has a molecular weight of 352.18 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzamide is sourced from PubChem (CID 115750615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).