N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide

C24H20FN5O5S — CID 170550576

About N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide

N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 170550576) has the molecular formula C24H20FN5O5S and a molecular weight of 509.52 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide
• PubChem CID: 170550576
• Molecular Formula: C24H20FN5O5S
• Molecular Weight: 509.52 g/mol
• Exact Mass: 509.12
• IUPAC Name: N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide
• SMILES: COc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc3c(n2)OCCO3)s1
• InChI: InChI=1S/C24H20FN5O5S/c1-13-10-15(20-17(25)4-3-5-18(20)32-2)16(11-26-13)21(31)28-23-29-30-24(36-23)35-12-14-6-7-19-22(27-14)34-9-8-33-19/h3-7,10-11H,8-9,12H2,1-2H3,(H,28,29,31)
• InChIKey: JGLKXDUREMUSBO-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 117.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.52
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide?

The IUPAC name of N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide (CID 170550576) is N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide?

The canonical SMILES for N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide is COc1cccc(F)c1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc3c(n2)OCCO3)s1.

What is the InChIKey of N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide?

The InChIKey is JGLKXDUREMUSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O5S/c1-13-10-15(20-17(25)4-3-5-18(20)32-2)16(11-26-13)21(31)28-23-29-30-24(36-23)35-12-14-6-7-19-22(27-14)34-9-8-33-19/h3-7,10-11H,8-9,12H2,1-2H3,(H,28,29,31).

What are the key properties of N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide?

N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 509.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethoxy)-1,3,4-thiadiazol-2-yl]-4-(2-fluoro-6-methoxyphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 170550576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).