5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide

C11H9IN4O — CID 137483051

IUPAC5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2nccc(I)n2)cn1
InChIInChI=1S/C11H9IN4O/c1-13-11(17)8-3-2-7(6-15-8)10-14-5-4-9(12)16-10/h2-6H,1H3,(H,13,17)
InChIKeyYXLMBKJEBVIKLG-UHFFFAOYSA-N
MW340.12 g/mol
LogP1.50
Rot. Bonds2

About 5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide

5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide (PubChem CID 137483051) has the molecular formula C11H9IN4O and a molecular weight of 340.12 g/mol. Its IUPAC name is 5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide
PubChem CID137483051
Molecular FormulaC11H9IN4O
Molecular Weight340.12 g/mol
Exact Mass339.98
IUPAC Name5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2nccc(I)n2)cn1
InChIInChI=1S/C11H9IN4O/c1-13-11(17)8-3-2-7(6-15-8)10-14-5-4-9(12)16-10/h2-6H,1H3,(H,13,17)
InChIKeyYXLMBKJEBVIKLG-UHFFFAOYSA-N
XLogP1.50
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.12
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide (CID 137483051) is 5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2nccc(I)n2)cn1.
What is the InChIKey of 5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is YXLMBKJEBVIKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN4O/c1-13-11(17)8-3-2-7(6-15-8)10-14-5-4-9(12)16-10/h2-6H,1H3,(H,13,17).
What are the key properties of 5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide?
5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 340.12 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodopyrimidin-2-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 137483051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).