5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide

C16H17FN2O2S — CID 134161547

IUPAC5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NC(c1cccs1)C1CCOCC1)c1cncc(F)c1
InChIInChI=1S/C16H17FN2O2S/c17-13-8-12(9-18-10-13)16(20)19-15(14-2-1-7-22-14)11-3-5-21-6-4-11/h1-2,7-11,15H,3-6H2,(H,19,20)
InChIKeySUGAIJFAZZRWCO-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.18
Rot. Bonds4

About 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide

5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 134161547) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
PubChem CID134161547
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NC(c1cccs1)C1CCOCC1)c1cncc(F)c1
InChIInChI=1S/C16H17FN2O2S/c17-13-8-12(9-18-10-13)16(20)19-15(14-2-1-7-22-14)11-3-5-21-6-4-11/h1-2,7-11,15H,3-6H2,(H,19,20)
InChIKeySUGAIJFAZZRWCO-UHFFFAOYSA-N
XLogP3.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide (CID 134161547) is 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide is O=C(NC(c1cccs1)C1CCOCC1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is SUGAIJFAZZRWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c17-13-8-12(9-18-10-13)16(20)19-15(14-2-1-7-22-14)11-3-5-21-6-4-11/h1-2,7-11,15H,3-6H2,(H,19,20).
What are the key properties of 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide?
5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[oxan-4-yl(thiophen-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 134161547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).