2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide

C10H11F3N2O2 — CID 103766068

IUPAC2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCCCC(F)(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)3-1-4-15-9(17)7-2-5-14-8(16)6-7/h2,5-6H,1,3-4H2,(H,14,16)(H,15,17)
InChIKeyHMFPTFRXEYYCGT-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.45
Rot. Bonds4

About 2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide

2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide (PubChem CID 103766068) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide
PubChem CID103766068
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide
SMILESO=C(NCCCC(F)(F)F)c1cc[nH]c(=O)c1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)3-1-4-15-9(17)7-2-5-14-8(16)6-7/h2,5-6H,1,3-4H2,(H,14,16)(H,15,17)
InChIKeyHMFPTFRXEYYCGT-UHFFFAOYSA-N
XLogP1.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103762808
N-(4-methylsulfanylbutyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765617
N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106130813
N-(3-amino-3-oxopropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765710
N-[(4E)-4-amino-4-hydroxyiminobutyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114039851
3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 104629259
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 79039211
3-amino-4-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 113326613
4-bromo-3-methyl-N-(4,4,4-trifluorobutyl)benzamide
CID 113339239
2-chloro-5-(4,4,4-trifluorobutylcarbamoyl)benzenesulfonyl chloride
CID 115522582
4-hydrazinyl-N-(4,4,4-trifluorobutyl)benzamide
CID 115522193

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide?
The IUPAC name of 2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide (CID 103766068) is 2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide is O=C(NCCCC(F)(F)F)c1cc[nH]c(=O)c1.
What is the InChIKey of 2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide?
The InChIKey is HMFPTFRXEYYCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)3-1-4-15-9(17)7-2-5-14-8(16)6-7/h2,5-6H,1,3-4H2,(H,14,16)(H,15,17).
What are the key properties of 2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide?
2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide has a molecular weight of 248.20 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103766068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).