2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide

C11H10FN3OS — CID 105386232

IUPAC2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
SMILESNc1nccc(C(=O)NCc2ccsc2)c1F
InChIInChI=1S/C11H10FN3OS/c12-9-8(1-3-14-10(9)13)11(16)15-5-7-2-4-17-6-7/h1-4,6H,5H2,(H2,13,14)(H,15,16)
InChIKeyPJSWVDVTDZYVQF-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.79
Rot. Bonds3

About 2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide

2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 105386232) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
PubChem CID105386232
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
SMILESNc1nccc(C(=O)NCc2ccsc2)c1F
InChIInChI=1S/C11H10FN3OS/c12-9-8(1-3-14-10(9)13)11(16)15-5-7-2-4-17-6-7/h1-4,6H,5H2,(H2,13,14)(H,15,16)
InChIKeyPJSWVDVTDZYVQF-UHFFFAOYSA-N
XLogP1.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 106423000
2-fluoro-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 107358701
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
3-bromo-2-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 106544257
3-amino-N-(thiophen-3-ylmethyl)pyridine-2-carboxamide
CID 104742298
2-amino-3-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 114185135
2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105385347
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388
2-bromo-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 103752408
2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 55175065
5-amino-4-fluoro-2-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 63247819
5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide
CID 107185130

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide (CID 105386232) is 2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide is Nc1nccc(C(=O)NCc2ccsc2)c1F.
What is the InChIKey of 2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is PJSWVDVTDZYVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c12-9-8(1-3-14-10(9)13)11(16)15-5-7-2-4-17-6-7/h1-4,6H,5H2,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide?
2-amino-3-fluoro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 1.79, 3 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-(thiophen-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105386232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).