N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C13H17F3N2O3 — CID 63859737

IUPACN-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1cncc(O)c1
InChIInChI=1S/C13H17F3N2O3/c1-2-21-5-3-4-18(9-13(14,15)16)12(20)10-6-11(19)8-17-7-10/h6-8,19H,2-5,9H2,1H3
InChIKeyNJLXKGHKWAVBML-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.22
Rot. Bonds7

About N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 63859737) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID63859737
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1cncc(O)c1
InChIInChI=1S/C13H17F3N2O3/c1-2-21-5-3-4-18(9-13(14,15)16)12(20)10-6-11(19)8-17-7-10/h6-8,19H,2-5,9H2,1H3
InChIKeyNJLXKGHKWAVBML-UHFFFAOYSA-N
XLogP2.22
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 55256550
N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103765269
N-ethyl-5-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]pyridine-3-carboxamide
CID 114263707
4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 61109060
4,5-dibromo-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 112727891
N-[3-(diethylamino)propyl]-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 102993953
N-ethyl-5-hydroxy-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 63850012
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204341
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269422
2-(aminomethyl)-N-(3-ethoxypropyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 115432120
N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687246

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 63859737) is N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)c1cncc(O)c1.
What is the InChIKey of N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is NJLXKGHKWAVBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-2-21-5-3-4-18(9-13(14,15)16)12(20)10-6-11(19)8-17-7-10/h6-8,19H,2-5,9H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63859737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).