3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide

C14H13IN2O2 — CID 104627774

IUPAC3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccn1)C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H13IN2O2/c1-17(9-11-4-2-3-7-16-11)14(19)10-5-6-12(15)13(18)8-10/h2-8,18H,9H2,1H3
InChIKeyVNKVLEUAFFYBQZ-UHFFFAOYSA-N
MW368.17 g/mol
LogP2.66
Rot. Bonds3

About 3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide

3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 104627774) has the molecular formula C14H13IN2O2 and a molecular weight of 368.17 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID104627774
Molecular FormulaC14H13IN2O2
Molecular Weight368.17 g/mol
Exact Mass368.00
IUPAC Name3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccn1)C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H13IN2O2/c1-17(9-11-4-2-3-7-16-11)14(19)10-5-6-12(15)13(18)8-10/h2-8,18H,9H2,1H3
InChIKeyVNKVLEUAFFYBQZ-UHFFFAOYSA-N
XLogP2.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 113434706
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 47391163
N-methyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43582173
3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104627629
4-methoxy-N-methyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 71909818
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627427
5-chloro-2-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565718
potassium;hydride;N-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 173152580
2-hydroxy-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43565722
3-hydroxy-4-iodo-N-methyl-N-prop-2-enylbenzamide
CID 104956229

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 104627774) is 3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide is CN(Cc1ccccn1)C(=O)c1ccc(I)c(O)c1.
What is the InChIKey of 3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is VNKVLEUAFFYBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O2/c1-17(9-11-4-2-3-7-16-11)14(19)10-5-6-12(15)13(18)8-10/h2-8,18H,9H2,1H3.
What are the key properties of 3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide?
3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 368.17 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 104627774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).