N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide

C14H21IN2O — CID 114008693

IUPACN-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCCCCI)c(C)n1
InChIInChI=1S/C14H21IN2O/c1-11-7-8-13(12(2)17-11)14(18)16-10-6-4-3-5-9-15/h7-8H,3-6,9-10H2,1-2H3,(H,16,18)
InChIKeyQOMAYKOPRQIUKG-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.42
Rot. Bonds7

About N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide

N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 114008693) has the molecular formula C14H21IN2O and a molecular weight of 360.24 g/mol. Its IUPAC name is N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID114008693
Molecular FormulaC14H21IN2O
Molecular Weight360.24 g/mol
Exact Mass360.07
IUPAC NameN-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCCCCI)c(C)n1
InChIInChI=1S/C14H21IN2O/c1-11-7-8-13(12(2)17-11)14(18)16-10-6-4-3-5-9-15/h7-8H,3-6,9-10H2,1-2H3,(H,16,18)
InChIKeyQOMAYKOPRQIUKG-UHFFFAOYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.42
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

N-(5-iodopentyl)-6-methylpyridine-2-carboxamide
CID 107322243
N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 119508405
N-(5-iodopentyl)-2-methylquinoline-4-carboxamide
CID 107322663
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226
1-N,2-N-bis(4-iodobutyl)benzene-1,2-dicarboxamide
CID 139952452
2,3,4-trifluoro-N-(6-iodohexyl)benzamide
CID 107848024
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174598
3-chloro-N-(4-iodobutyl)-2-methylbenzamide
CID 107100317
2,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 102914586
N-(2-bromopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 114308850
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide (CID 114008693) is N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCCCCCI)c(C)n1.
What is the InChIKey of N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is QOMAYKOPRQIUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O/c1-11-7-8-13(12(2)17-11)14(18)16-10-6-4-3-5-9-15/h7-8H,3-6,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide?
N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 360.24 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 114008693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).