3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide

C12H15FN2OS — CID 115646155

IUPAC3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCSCC1)c1ccncc1F
InChIInChI=1S/C12H15FN2OS/c13-11-8-14-4-1-10(11)12(16)15-7-9-2-5-17-6-3-9/h1,4,8-9H,2-3,5-7H2,(H,15,16)
InChIKeyBQZGQQQUCFZEHO-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.09
Rot. Bonds3

About 3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide

3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 115646155) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
PubChem CID115646155
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC Name3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCC1CCSCC1)c1ccncc1F
InChIInChI=1S/C12H15FN2OS/c13-11-8-14-4-1-10(11)12(16)15-7-9-2-5-17-6-3-9/h1,4,8-9H,2-3,5-7H2,(H,15,16)
InChIKeyBQZGQQQUCFZEHO-UHFFFAOYSA-N
XLogP2.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-(thian-4-ylmethyl)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

2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide
CID 935612
N-(4-fluorobenzyl)isonicotinamide
CID 882119
N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 1247370
1-(Pyridine-4-carbonyl)piperazine
CID 876553
N-benzylpyridine-4-carboxamide
CID 233151
N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 7935357
N-(tert-butyl)isonicotinamide
CID 771530
N-(2-fluorobenzyl)isonicotinamide
CID 4805637
1,6-Bis(pyridine-4-carboxamido)hexane
CID 5127110
2,6-Naphthyridin-1-ol
CID 817743
N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide
CID 57404265
N-[2-(3-fluorophenyl)-4-oxo-1,3-thiazinan-3-yl]pyridine-4-carboxamide
CID 70694035

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide (CID 115646155) is 3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide is O=C(NCC1CCSCC1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is BQZGQQQUCFZEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c13-11-8-14-4-1-10(11)12(16)15-7-9-2-5-17-6-3-9/h1,4,8-9H,2-3,5-7H2,(H,15,16).
What are the key properties of 3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide?
3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(thian-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115646155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).