2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

C14H13IN2O2 — CID 38533778

IUPAC2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1ccccc1I
InChIInChI=1S/C14H13IN2O2/c1-19-14-10(5-4-8-16-14)9-17-13(18)11-6-2-3-7-12(11)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyAKGCGJXXUOXSIY-UHFFFAOYSA-N
MW368.17 g/mol
LogP2.62
Rot. Bonds4

About 2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide

2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 38533778) has the molecular formula C14H13IN2O2 and a molecular weight of 368.17 g/mol. Its IUPAC name is 2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID38533778
Molecular FormulaC14H13IN2O2
Molecular Weight368.17 g/mol
Exact Mass368.00
IUPAC Name2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOc1ncccc1CNC(=O)c1ccccc1I
InChIInChI=1S/C14H13IN2O2/c1-19-14-10(5-4-8-16-14)9-17-13(18)11-6-2-3-7-12(11)15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyAKGCGJXXUOXSIY-UHFFFAOYSA-N
XLogP2.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 52.62
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

2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
2-iodo-N-[(2-methoxyphenyl)methyl]benzamide
CID 1378811
5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 60616344
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 42521293
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
N-[(2-methoxy-3-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 37486429
N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 37484983
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 103891873

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide (CID 38533778) is 2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is COc1ncccc1CNC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is AKGCGJXXUOXSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O2/c1-19-14-10(5-4-8-16-14)9-17-13(18)11-6-2-3-7-12(11)15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide?
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 368.17 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 38533778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).