N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide

C13H20N2O2 — CID 107201918

IUPACN-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)CCCCCO)cn1
InChIInChI=1S/C13H20N2O2/c1-11-6-7-12(10-14-11)13(17)15(2)8-4-3-5-9-16/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyCJGWGIUKPCBQSJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.62
Rot. Bonds6

About N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide

N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide (PubChem CID 107201918) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide
PubChem CID107201918
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N(C)CCCCCO)cn1
InChIInChI=1S/C13H20N2O2/c1-11-6-7-12(10-14-11)13(17)15(2)8-4-3-5-9-16/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyCJGWGIUKPCBQSJ-UHFFFAOYSA-N
XLogP1.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[methyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 43409840
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
CID 107199083
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
N-(5-hydroxypentyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 107202832
5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide
CID 114230215
N-(3-amino-2,2-dimethylpropyl)-N,6-dimethylpyridine-3-carboxamide
CID 79652120
N-(cyclohexylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 39975112
N-(5-hydroxypentyl)-N-methyl-4-(propylamino)benzamide
CID 107201178
3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300854
6-bromo-N-(5-hydroxypentyl)-N-methylnaphthalene-2-carboxamide
CID 107199939
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
N-[(2-fluorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 134057045

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide (CID 107201918) is N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)N(C)CCCCCO)cn1.
What is the InChIKey of N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide?
The InChIKey is CJGWGIUKPCBQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11-6-7-12(10-14-11)13(17)15(2)8-4-3-5-9-16/h6-7,10,16H,3-5,8-9H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide?
N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 107201918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).