N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

C29H29F4N5O5 — CID 139332150

About N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide

N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 139332150) has the molecular formula C29H29F4N5O5 and a molecular weight of 603.57 g/mol. Its IUPAC name is N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

• Compound Name: N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
• PubChem CID: 139332150
• Molecular Formula: C29H29F4N5O5
• Molecular Weight: 603.57 g/mol
• Exact Mass: 603.21
• IUPAC Name: N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
• SMILES: CCc1cc(C(O)(CNC(=O)c2ccc(-c3nc(C)no3)c(OC)c2)C(F)(F)F)nc(-c2ccc(F)cc2)c1OCCN
• InChI: InChI=1S/C29H29F4N5O5/c1-4-17-14-23(37-24(25(17)42-12-11-34)18-5-8-20(30)9-6-18)28(40,29(31,32)33)15-35-26(39)19-7-10-21(22(13-19)41-3)27-36-16(2)38-43-27/h5-10,13-14,40H,4,11-12,15,34H2,1-3H3,(H,35,39)
• InChIKey: NXMIUUYLBANPCM-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 145.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.57
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?

The IUPAC name of N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 139332150) is N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

What is the SMILES notation for N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?

The canonical SMILES for N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is CCc1cc(C(O)(CNC(=O)c2ccc(-c3nc(C)no3)c(OC)c2)C(F)(F)F)nc(-c2ccc(F)cc2)c1OCCN.

What is the InChIKey of N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?

The InChIKey is NXMIUUYLBANPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F4N5O5/c1-4-17-14-23(37-24(25(17)42-12-11-34)18-5-8-20(30)9-6-18)28(40,29(31,32)33)15-35-26(39)19-7-10-21(22(13-19)41-3)27-36-16(2)38-43-27/h5-10,13-14,40H,4,11-12,15,34H2,1-3H3,(H,35,39).

What are the key properties of N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?

N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 603.57 g/mol, XLogP of 4.33, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-(2-aminoethoxy)-4-ethyl-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 139332150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).