N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide

C13H18F3N3O2 — CID 126829249

IUPACN-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCCO)cc(NCC(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O2/c1-9-6-10(12(21)17-4-2-3-5-20)7-11(19-9)18-8-13(14,15)16/h6-7,20H,2-5,8H2,1H3,(H,17,21)(H,18,19)
InChIKeyGXPQUSSJYBEYNP-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.87
Rot. Bonds7

About N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide

N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide (PubChem CID 126829249) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
PubChem CID126829249
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCCO)cc(NCC(F)(F)F)n1
InChIInChI=1S/C13H18F3N3O2/c1-9-6-10(12(21)17-4-2-3-5-20)7-11(19-9)18-8-13(14,15)16/h6-7,20H,2-5,8H2,1H3,(H,17,21)(H,18,19)
InChIKeyGXPQUSSJYBEYNP-UHFFFAOYSA-N
XLogP1.87
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(hydroxymethyl)cyclohexyl]-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
CID 126835006
N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylamino)-6-methylpyridine-4-carboxamide;propanoic acid
CID 161055186
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841535
2-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-methylpyridine-4-carboxamide
CID 104954990
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488
2-chloro-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-4-carboxamide
CID 104952363
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)-6-methylpyridine-4-carboxamide
CID 106098439
2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide
CID 142503861
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-6-methylpyridine-4-carboxylic acid
CID 106278034
N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide
CID 107318370
N-(5-hydroxypentyl)-5-methylfuran-3-carboxamide
CID 107319220

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide (CID 126829249) is N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide is Cc1cc(C(=O)NCCCCO)cc(NCC(F)(F)F)n1.
What is the InChIKey of N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide?
The InChIKey is GXPQUSSJYBEYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-9-6-10(12(21)17-4-2-3-5-20)7-11(19-9)18-8-13(14,15)16/h6-7,20H,2-5,8H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide?
N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutyl)-2-methyl-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 126829249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).