N-(5-iodopentyl)-6-methylpyridine-2-carboxamide

C12H17IN2O — CID 107322243

IUPACN-(5-iodopentyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCCCCI)n1
InChIInChI=1S/C12H17IN2O/c1-10-6-5-7-11(15-10)12(16)14-9-4-2-3-8-13/h5-7H,2-4,8-9H2,1H3,(H,14,16)
InChIKeyBYVDJPLDOGWGNC-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.73
Rot. Bonds6

About N-(5-iodopentyl)-6-methylpyridine-2-carboxamide

N-(5-iodopentyl)-6-methylpyridine-2-carboxamide (PubChem CID 107322243) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is N-(5-iodopentyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-iodopentyl)-6-methylpyridine-2-carboxamide
PubChem CID107322243
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC NameN-(5-iodopentyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCCCCI)n1
InChIInChI=1S/C12H17IN2O/c1-10-6-5-7-11(15-10)12(16)14-9-4-2-3-8-13/h5-7H,2-4,8-9H2,1H3,(H,14,16)
InChIKeyBYVDJPLDOGWGNC-UHFFFAOYSA-N
XLogP2.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide
CID 114008693
6-methyl-N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 37315939
N-(5-iodopentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107322343
6-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]pyridine-2-carboxamide
CID 51079304
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
N-[2-(3-hydroxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110483053
N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide
CID 114309316
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
8-hydroxy-N-octadecylquinoline-2-carboxamide
CID 101042875
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305
6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 38450854

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopentyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(5-iodopentyl)-6-methylpyridine-2-carboxamide (CID 107322243) is N-(5-iodopentyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-iodopentyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(5-iodopentyl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NCCCCCI)n1.
What is the InChIKey of N-(5-iodopentyl)-6-methylpyridine-2-carboxamide?
The InChIKey is BYVDJPLDOGWGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-10-6-5-7-11(15-10)12(16)14-9-4-2-3-8-13/h5-7H,2-4,8-9H2,1H3,(H,14,16).
What are the key properties of N-(5-iodopentyl)-6-methylpyridine-2-carboxamide?
N-(5-iodopentyl)-6-methylpyridine-2-carboxamide has a molecular weight of 332.19 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopentyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 107322243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).