N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C13H17F3N2O3 — CID 103918830

IUPACN-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCCCCO)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c14-13(15,16)10-6-5-9(12(21)18-10)11(20)17-7-3-1-2-4-8-19/h5-6,19H,1-4,7-8H2,(H,17,20)(H,18,21)
InChIKeyOLSBNENSKYAMBD-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.68
Rot. Bonds7

About N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 103918830) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID103918830
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCCCCO)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H17F3N2O3/c14-13(15,16)10-6-5-9(12(21)18-10)11(20)17-7-3-1-2-4-8-19/h5-6,19H,1-4,7-8H2,(H,17,20)(H,18,21)
InChIKeyOLSBNENSKYAMBD-UHFFFAOYSA-N
XLogP1.68
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 103918830) is N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCCCCCCO)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is OLSBNENSKYAMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c14-13(15,16)10-6-5-9(12(21)18-10)11(20)17-7-3-1-2-4-8-19/h5-6,19H,1-4,7-8H2,(H,17,20)(H,18,21).
What are the key properties of N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103918830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).