N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide

C14H22IN3O — CID 154026042

IUPACN-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide
SMILESCN(C)CCCCCCNC(=O)c1ccc([124I])cn1
InChIInChI=1S/C14H22IN3O/c1-18(2)10-6-4-3-5-9-16-14(19)13-8-7-12(15)11-17-13/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,19)/i15-3
InChIKeyHQXKHTJSJFAHBL-VTNNSFGWSA-N
MW372.26 g/mol
LogP2.54
Rot. Bonds8

About N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide

N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide (PubChem CID 154026042) has the molecular formula C14H22IN3O and a molecular weight of 372.26 g/mol. Its IUPAC name is N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide
PubChem CID154026042
Molecular FormulaC14H22IN3O
Molecular Weight372.26 g/mol
Exact Mass372.08
IUPAC NameN-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide
SMILESCN(C)CCCCCCNC(=O)c1ccc([124I])cn1
InChIInChI=1S/C14H22IN3O/c1-18(2)10-6-4-3-5-9-16-14(19)13-8-7-12(15)11-17-13/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,19)/i15-3
InChIKeyHQXKHTJSJFAHBL-VTNNSFGWSA-N
XLogP2.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide?
The IUPAC name of N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide (CID 154026042) is N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide.
What is the SMILES notation for N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide?
The canonical SMILES for N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide is CN(C)CCCCCCNC(=O)c1ccc([124I])cn1.
What is the InChIKey of N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide?
The InChIKey is HQXKHTJSJFAHBL-VTNNSFGWSA-N. The full InChI is InChI=1S/C14H22IN3O/c1-18(2)10-6-4-3-5-9-16-14(19)13-8-7-12(15)11-17-13/h7-8,11H,3-6,9-10H2,1-2H3,(H,16,19)/i15-3.
What are the key properties of N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide?
N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide has a molecular weight of 372.26 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(dimethylamino)hexyl]-5-(124I)iodopyridine-2-carboxamide is sourced from PubChem (CID 154026042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).