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

C13H17F3N2O3 — CID 60779499

IUPACN-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H17F3N2O3/c1-2-21-7-3-6-18(9-13(14,15)16)12(20)10-4-5-11(19)17-8-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,19)
InChIKeyHHASCTMQTTWKGV-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.81
Rot. Bonds7

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

N-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 60779499) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID60779499
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H17F3N2O3/c1-2-21-7-3-6-18(9-13(14,15)16)12(20)10-4-5-11(19)17-8-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,19)
InChIKeyHHASCTMQTTWKGV-UHFFFAOYSA-N
XLogP1.81
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-oxo-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-1,6-dihydropyridine-3-carboxamide
CID 49669728
N-(2-((3-ethoxypropyl)amino)-2-oxoethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 49670775
6-Hydroxy-n,n-diethylnicotinamide
CID 9899087
5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyridin-2(1H)-one
CID 56875977
5-(3,3-difluoropyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 122269141
ethane;(2E)-2-(formamidomethylidene)-4-methyl-N-(2,2,2-trifluoroethyl)pent-3-enamide
CID 156716803
5-[(2-Methylpropylamino)methyl]-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 177250569
1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide
CID 178166144
2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-N-propylacetamide
CID 8215886
6-oxo-N-(2,2,2-trifluoroethyl)-1,6-dihydropyridine-3-carboxamide
CID 28826333
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 54877498
N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 54942973

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 60779499) is N-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is HHASCTMQTTWKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-2-21-7-3-6-18(9-13(14,15)16)12(20)10-4-5-11(19)17-8-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,19).
What are the key properties of N-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
N-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 306.28 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60779499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).