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

C11H14FN3OS — CID 103064707

IUPAC3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NC2CCSC2)c1F
InChIInChI=1S/C11H14FN3OS/c1-13-10-9(12)8(2-4-14-10)11(16)15-7-3-5-17-6-7/h2,4,7H,3,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyXORPJHMPVQFJBC-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.50
Rot. Bonds3

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

3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide (PubChem CID 103064707) has the molecular formula C11H14FN3OS and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
PubChem CID103064707
Molecular FormulaC11H14FN3OS
Molecular Weight255.32 g/mol
Exact Mass255.08
IUPAC Name3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)NC2CCSC2)c1F
InChIInChI=1S/C11H14FN3OS/c1-13-10-9(12)8(2-4-14-10)11(16)15-7-3-5-17-6-7/h2,4,7H,3,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyXORPJHMPVQFJBC-UHFFFAOYSA-N
XLogP1.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-fluoro-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064706
3-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide
CID 103064751
N-[2-(cyclopropanecarbonylamino)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387425
N-(2-cyclobutylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105387404
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385094
3-fluoro-2-hydrazinyl-N-(3-methylcyclobutyl)pyridine-4-carboxamide
CID 105388602
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105386266
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385572
4-amino-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 103064661
3-fluoro-2-(methylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385671
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide (CID 103064707) is 3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide is CNc1nccc(C(=O)NC2CCSC2)c1F.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide?
The InChIKey is XORPJHMPVQFJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3OS/c1-13-10-9(12)8(2-4-14-10)11(16)15-7-3-5-17-6-7/h2,4,7H,3,5-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide?
3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(thiolan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 103064707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).