2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide

C10H12FN3OS — CID 103064706

IUPAC2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide
SMILESNc1nccc(C(=O)NC2CCSC2)c1F
InChIInChI=1S/C10H12FN3OS/c11-8-7(1-3-13-9(8)12)10(15)14-6-2-4-16-5-6/h1,3,6H,2,4-5H2,(H2,12,13)(H,14,15)
InChIKeySDIZEGVRWNMIJK-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.04
Rot. Bonds2

About 2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide

2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide (PubChem CID 103064706) has the molecular formula C10H12FN3OS and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide
PubChem CID103064706
Molecular FormulaC10H12FN3OS
Molecular Weight241.29 g/mol
Exact Mass241.07
IUPAC Name2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide
SMILESNc1nccc(C(=O)NC2CCSC2)c1F
InChIInChI=1S/C10H12FN3OS/c11-8-7(1-3-13-9(8)12)10(15)14-6-2-4-16-5-6/h1,3,6H,2,4-5H2,(H2,12,13)(H,14,15)
InChIKeySDIZEGVRWNMIJK-UHFFFAOYSA-N
XLogP1.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064707
2-amino-N-cyclooctyl-3-fluoropyridine-4-carboxamide
CID 105384104
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-fluoropyridine-4-carboxamide
CID 107856271
4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 103064661
5-amino-2-bromo-N-(thiolan-3-yl)benzamide
CID 103062225
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388
5-amino-2-chloro-N-(thiolan-3-yl)benzamide
CID 103062189
2-amino-N-(1-cyclobutylethyl)-3-fluoropyridine-4-carboxamide
CID 105387526
3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064751
2,3-difluoro-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107295633
2,3-difluoro-N-(thian-4-yl)benzamide
CID 115605205
3-hydroxy-N-(thian-3-yl)pyridine-4-carboxamide
CID 115696792

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide (CID 103064706) is 2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide is Nc1nccc(C(=O)NC2CCSC2)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide?
The InChIKey is SDIZEGVRWNMIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3OS/c11-8-7(1-3-13-9(8)12)10(15)14-6-2-4-16-5-6/h1,3,6H,2,4-5H2,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide?
2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 103064706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).