N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C13H13FN2OS — CID 107358620

IUPACN-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cccnc1F
InChIInChI=1S/C13H13FN2OS/c1-2-16(9-10-5-4-8-18-10)13(17)11-6-3-7-15-12(11)14/h3-8H,2,9H2,1H3
InChIKeyFIKJVWDIRXTZMU-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.94
Rot. Bonds4

About N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 107358620) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID107358620
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC NameN-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCCN(Cc1cccs1)C(=O)c1cccnc1F
InChIInChI=1S/C13H13FN2OS/c1-2-16(9-10-5-4-8-18-10)13(17)11-6-3-7-15-12(11)14/h3-8H,2,9H2,1H3
InChIKeyFIKJVWDIRXTZMU-UHFFFAOYSA-N
XLogP2.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-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

N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62175045
2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62660536
N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
N-ethyl-2-fluoro-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79770274
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271846
N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indazole-7-carboxamide
CID 33033043
N-ethyl-2-hydroxy-5-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 60655389
4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730228
N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 134014370

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 107358620) is N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is CCN(Cc1cccs1)C(=O)c1cccnc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is FIKJVWDIRXTZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-2-16(9-10-5-4-8-18-10)13(17)11-6-3-7-15-12(11)14/h3-8H,2,9H2,1H3.
What are the key properties of N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 107358620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).