4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine

C14H20FN5O — CID 105385700

About 4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine

4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine (PubChem CID 105385700) has the molecular formula C14H20FN5O and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
• PubChem CID: 105385700
• Molecular Formula: C14H20FN5O
• Molecular Weight: 293.35 g/mol
• Exact Mass: 293.17
• IUPAC Name: 4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
• SMILES: Cc1noc(CNc2nccc(CNC(C)(C)C)c2F)n1
• InChI: InChI=1S/C14H20FN5O/c1-9-19-11(21-20-9)8-17-13-12(15)10(5-6-16-13)7-18-14(2,3)4/h5-6,18H,7-8H2,1-4H3,(H,16,17)
• InChIKey: YBYCUNOTLVEFDL-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 75.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.35
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?

The IUPAC name of 4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine (CID 105385700) is 4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine.

What is the SMILES notation for 4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?

The canonical SMILES for 4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine is Cc1noc(CNc2nccc(CNC(C)(C)C)c2F)n1.

What is the InChIKey of 4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?

The InChIKey is YBYCUNOTLVEFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN5O/c1-9-19-11(21-20-9)8-17-13-12(15)10(5-6-16-13)7-18-14(2,3)4/h5-6,18H,7-8H2,1-4H3,(H,16,17).

What are the key properties of 4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?

4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine has a molecular weight of 293.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 105385700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).