N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide

C13H17F3N2O3 — CID 103765269

IUPACN-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H17F3N2O3/c1-2-21-7-3-6-18(9-13(14,15)16)12(20)10-4-5-17-11(19)8-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,19)
InChIKeyDPZQQHOQGKSYBJ-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.81
Rot. Bonds7

About N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide

N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide (PubChem CID 103765269) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
PubChem CID103765269
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H17F3N2O3/c1-2-21-7-3-6-18(9-13(14,15)16)12(20)10-4-5-17-11(19)8-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,19)
InChIKeyDPZQQHOQGKSYBJ-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'}

Analyze N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrrole-2-carboxamide
CID 61109060
N-(3-ethoxypropyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 63859737
N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114263805
N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103764896
4,5-dibromo-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 112727891
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204341
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
N-(2-methoxyethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103764343
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 60778275
3-[3-ethoxypropyl(1H-indole-6-carbonyl)amino]-2-methylpropanoic acid
CID 119208488
2-(aminomethyl)-N-(3-ethoxypropyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 115432120
N-ethyl-2-oxo-N-prop-2-enyl-1H-pyridine-4-carboxamide
CID 103764844

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide (CID 103765269) is N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
The InChIKey is DPZQQHOQGKSYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-2-21-7-3-6-18(9-13(14,15)16)12(20)10-4-5-17-11(19)8-10/h4-5,8H,2-3,6-7,9H2,1H3,(H,17,19).
What are the key properties of N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-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)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103765269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).