3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide

C14H13IN2O2 — CID 104627777

IUPAC3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(I)c(O)c2)n1
InChIInChI=1S/C14H13IN2O2/c1-9-3-2-4-11(17-9)8-16-14(19)10-5-6-12(15)13(18)7-10/h2-7,18H,8H2,1H3,(H,16,19)
InChIKeyYSGMHFUZEMGIHZ-UHFFFAOYSA-N
MW368.17 g/mol
LogP2.63
Rot. Bonds3

About 3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide

3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 104627777) has the molecular formula C14H13IN2O2 and a molecular weight of 368.17 g/mol. Its IUPAC name is 3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide
PubChem CID104627777
Molecular FormulaC14H13IN2O2
Molecular Weight368.17 g/mol
Exact Mass368.00
IUPAC Name3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(I)c(O)c2)n1
InChIInChI=1S/C14H13IN2O2/c1-9-3-2-4-11(17-9)8-16-14(19)10-5-6-12(15)13(18)7-10/h2-7,18H,8H2,1H3,(H,16,19)
InChIKeyYSGMHFUZEMGIHZ-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
2,5-dihydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103892127
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 113378416
3-bromo-4-chloro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 103841720
3-hydroxy-4-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104627817
3-hydroxy-4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104628303
3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 104629295
2-amino-6-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55057389
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-4-iodobenzamide
CID 104627877
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041675
3-(tert-butylsulfamoyl)-4-fluoro-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 86820808
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-morpholin-4-ylbenzamide
CID 138031186

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide (CID 104627777) is 3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccc(I)c(O)c2)n1.
What is the InChIKey of 3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is YSGMHFUZEMGIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O2/c1-9-3-2-4-11(17-9)8-16-14(19)10-5-6-12(15)13(18)7-10/h2-7,18H,8H2,1H3,(H,16,19).
What are the key properties of 3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide?
3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 368.17 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-iodo-N-[(6-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 104627777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).