N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine

C20H25FN4O2 — CID 146287207

About N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine

N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine (PubChem CID 146287207) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine.

Molecular Properties

• Compound Name: N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine
• PubChem CID: 146287207
• Molecular Formula: C20H25FN4O2
• Molecular Weight: 372.44 g/mol
• Exact Mass: 372.20
• IUPAC Name: N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine
• SMILES: Cc1ccc(NC2CCN(C(C)c3nc4c(cc3F)OCCO4)CC2)cn1
• InChI: InChI=1S/C20H25FN4O2/c1-13-3-4-16(12-22-13)23-15-5-7-25(8-6-15)14(2)19-17(21)11-18-20(24-19)27-10-9-26-18/h3-4,11-12,14-15,23H,5-10H2,1-2H3
• InChIKey: POFVQACGWHOIHT-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 59.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.44
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine?

The IUPAC name of N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine (CID 146287207) is N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine.

What is the SMILES notation for N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine?

The canonical SMILES for N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine is Cc1ccc(NC2CCN(C(C)c3nc4c(cc3F)OCCO4)CC2)cn1.

What is the InChIKey of N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine?

The InChIKey is POFVQACGWHOIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-13-3-4-16(12-22-13)23-15-5-7-25(8-6-15)14(2)19-17(21)11-18-20(24-19)27-10-9-26-18/h3-4,11-12,14-15,23H,5-10H2,1-2H3.

What are the key properties of N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine?

N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine has a molecular weight of 372.44 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]-6-methylpyridin-3-amine is sourced from PubChem (CID 146287207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).