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

C11H13F3N2O3 — CID 103915334

IUPACN-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)N(CCO)CC(F)(F)F)cc1=O
InChIInChI=1S/C11H13F3N2O3/c1-15-3-2-8(6-9(15)18)10(19)16(4-5-17)7-11(12,13)14/h2-3,6,17H,4-5,7H2,1H3
InChIKeyLNBPBYIIINTYBZ-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.38
Rot. Bonds4

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

N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 103915334) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID103915334
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESCn1ccc(C(=O)N(CCO)CC(F)(F)F)cc1=O
InChIInChI=1S/C11H13F3N2O3/c1-15-3-2-8(6-9(15)18)10(19)16(4-5-17)7-11(12,13)14/h2-3,6,17H,4-5,7H2,1H3
InChIKeyLNBPBYIIINTYBZ-UHFFFAOYSA-N
XLogP0.38
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N,N-bis(2-hydroxyethyl)-2H-pyridine-4-carboxamide
CID 87460026
5-Ethyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 89642070
5-ethyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 89642071
5-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 89642075
5-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 89642120
5-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 89642133
5-ethyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 90227877
1-(2-Hydroxy-1-methoxyethyl)-4-(trifluoromethyl)pyridin-2-one
CID 134277922
1-(2-Hydroxy-1-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 134277980
1-(2-Hydroxy-1-methoxyethyl)-3-(trifluoromethyl)pyridin-2-one
CID 134278034
Ethane;5-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyridin-2-one
CID 144497122
ethane;5-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyridin-2-one
CID 144497179

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 103915334) is N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is Cn1ccc(C(=O)N(CCO)CC(F)(F)F)cc1=O.
What is the InChIKey of N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is LNBPBYIIINTYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-15-3-2-8(6-9(15)18)10(19)16(4-5-17)7-11(12,13)14/h2-3,6,17H,4-5,7H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 278.23 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methyl-2-oxo-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 103915334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).