N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

C11H13F3N2O3 — CID 103915507

IUPACN-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(CCO)CC(F)(F)F)c[nH]1
InChIInChI=1S/C11H13F3N2O3/c1-7-4-9(18)8(5-15-7)10(19)16(2-3-17)6-11(12,13)14/h4-5,17H,2-3,6H2,1H3,(H,15,18)
InChIKeyPUFBTJJVHQNMHO-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.68
Rot. Bonds4

About N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 103915507) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID103915507
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(CCO)CC(F)(F)F)c[nH]1
InChIInChI=1S/C11H13F3N2O3/c1-7-4-9(18)8(5-15-7)10(19)16(2-3-17)6-11(12,13)14/h4-5,17H,2-3,6H2,1H3,(H,15,18)
InChIKeyPUFBTJJVHQNMHO-UHFFFAOYSA-N
XLogP0.68
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibutyl-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717584
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 61114256
N-ethyl-N-(2-methoxyethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717540
2-hydroxy-N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 107483356
4-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 107486111
N-butyl-N-(2-chloroethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039284
2,4-dichloro-5-fluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103857427
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 103915350
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)furan-2-carboxamide
CID 103857428
2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107483427
N-[3-(dimethylamino)propyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103918750
N-butyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110855743

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 103915507) is N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N(CCO)CC(F)(F)F)c[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is PUFBTJJVHQNMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-7-4-9(18)8(5-15-7)10(19)16(2-3-17)6-11(12,13)14/h4-5,17H,2-3,6H2,1H3,(H,15,18).
What are the key properties of N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103915507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).