2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide

C14H13IN2O — CID 39718566

IUPAC2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C)c2I)nc1
InChIInChI=1S/C14H13IN2O/c1-9-6-7-12(16-8-9)17-14(18)11-5-3-4-10(2)13(11)15/h3-8H,1-2H3,(H,16,17,18)
InChIKeyHVOPCGBJOORVDP-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.56
Rot. Bonds2

About 2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide

2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 39718566) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
PubChem CID39718566
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC Name2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C)c2I)nc1
InChIInChI=1S/C14H13IN2O/c1-9-6-7-12(16-8-9)17-14(18)11-5-3-4-10(2)13(11)15/h3-8H,1-2H3,(H,16,17,18)
InChIKeyHVOPCGBJOORVDP-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

N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103617949
N-(5-chloropyrazin-2-yl)-2-iodo-3-methylbenzamide
CID 114029858
N-(5-methyl-2-pyridinyl)naphthalene-1-carboxamide
CID 673887
2-acetamido-N-(5-methyl-2-pyridinyl)benzamide
CID 3419265
2-iodo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 113236904
N-(2-bromo-5-methylphenyl)-2-iodo-3-methylbenzamide
CID 103867045
2-methyl-N-[5-(4-methylanilino)-2-pyridinyl]benzamide
CID 113031534
N-(1,1-dimethoxypropan-2-yl)-2-iodo-3-methylbenzamide
CID 114030618
N-(3-chloro-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103943532
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
2-iodo-N-(5-iodo-2-methylphenyl)-3-methylbenzamide
CID 114257116
N'-(2-methylphenyl)-N-(5-methyl-2-pyridinyl)oxamide
CID 44997230

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide (CID 39718566) is 2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide is Cc1ccc(NC(=O)c2cccc(C)c2I)nc1.
What is the InChIKey of 2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is HVOPCGBJOORVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c1-9-6-7-12(16-8-9)17-14(18)11-5-3-4-10(2)13(11)15/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide?
2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide 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 2-iodo-3-methyl-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 39718566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).