6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

C11H13F3N2O2 — CID 60778275

IUPAC6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H13F3N2O2/c1-2-5-16(7-11(12,13)14)10(18)8-3-4-9(17)15-6-8/h3-4,6H,2,5,7H2,1H3,(H,15,17)
InChIKeyCMCPCPFTRYIZGQ-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.79
Rot. Bonds4

About 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 60778275) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID60778275
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H13F3N2O2/c1-2-5-16(7-11(12,13)14)10(18)8-3-4-9(17)15-6-8/h3-4,6H,2,5,7H2,1H3,(H,15,17)
InChIKeyCMCPCPFTRYIZGQ-UHFFFAOYSA-N
XLogP1.79
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-6-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 79667847
4-hydroxy-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 103956777
N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 60716731
N-ethyl-N-(2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43243457
2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
CID 63651939
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
N-ethyl-N-(2-methylbutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 79471117
N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 90554644
4-(ethylamino)-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 63214137
6-oxo-1H-pyridine-3-carboxylic acid
CID 161433889
5-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 55256550
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103915592

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 60778275) is 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is CCCN(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CMCPCPFTRYIZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-5-16(7-11(12,13)14)10(18)8-3-4-9(17)15-6-8/h3-4,6H,2,5,7H2,1H3,(H,15,17).
What are the key properties of 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60778275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).