2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide

C14H13IN2O — CID 47097163

IUPAC2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccccc1I
InChIInChI=1S/C14H13IN2O/c1-17(10-11-5-4-8-16-9-11)14(18)12-6-2-3-7-13(12)15/h2-9H,10H2,1H3
InChIKeyZBABVZWECVGMOG-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.96
Rot. Bonds3

About 2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide

2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 47097163) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID47097163
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC Name2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1ccccc1I
InChIInChI=1S/C14H13IN2O/c1-17(10-11-5-4-8-16-9-11)14(18)12-6-2-3-7-13(12)15/h2-9H,10H2,1H3
InChIKeyZBABVZWECVGMOG-UHFFFAOYSA-N
XLogP2.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
2-bromo-N,3-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 103852811
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
N-methyl-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78770888
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 78770926
N,6-dimethyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 78893836
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
2-iodo-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 60631043
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 47097163) is 2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide is CN(Cc1cccnc1)C(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is ZBABVZWECVGMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c1-17(10-11-5-4-8-16-9-11)14(18)12-6-2-3-7-13(12)15/h2-9H,10H2,1H3.
What are the key properties of 2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide?
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 352.18 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 47097163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).