6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide

C14H23N3O2 — CID 103918113

IUPAC6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCCCCCCO)nc1
InChIInChI=1S/C14H23N3O2/c1-17(2)14(19)12-7-8-13(16-11-12)15-9-5-3-4-6-10-18/h7-8,11,18H,3-6,9-10H2,1-2H3,(H,15,16)
InChIKeyQCIZVTCDAPZFJM-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.75
Rot. Bonds8

About 6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide

6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide (PubChem CID 103918113) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
PubChem CID103918113
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NCCCCCCO)nc1
InChIInChI=1S/C14H23N3O2/c1-17(2)14(19)12-7-8-13(16-11-12)15-9-5-3-4-6-10-18/h7-8,11,18H,3-6,9-10H2,1-2H3,(H,15,16)
InChIKeyQCIZVTCDAPZFJM-UHFFFAOYSA-N
XLogP1.75
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide
CID 115486588
6-(4-hydroxybutylamino)pyridine-3-carboxamide
CID 106842705
6-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 133347459
6-[2-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956160
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)pyridine-3-carboxamide
CID 55046985
6-[2-(2-amino-2-oxoethoxy)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 106239261
6-[2-(ethylsulfamoyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103918035
N-butyl-6-[3-(dimethylamino)propylamino]-N-methylpyridine-3-carboxamide
CID 109154268
N,N-dimethyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxamide
CID 78956359
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 103844430
N,N-dimethyl-6-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxamide
CID 133323231
N,N-dimethyl-6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxamide
CID 103744306

Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide (CID 103918113) is 6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(NCCCCCCO)nc1.
What is the InChIKey of 6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is QCIZVTCDAPZFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17(2)14(19)12-7-8-13(16-11-12)15-9-5-3-4-6-10-18/h7-8,11,18H,3-6,9-10H2,1-2H3,(H,15,16).
What are the key properties of 6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide?
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 103918113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).