methyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate

C24H26FN5O5 — CID 123235236

IUPACmethyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1c(OC)ccnc1NC1CCC(C)N(C(=O)c2cccc(F)c2-c2noc(C)n2)C1
InChIInChI=1S/C24H26FN5O5/c1-13-8-9-15(28-21-20(24(32)34-4)18(33-3)10-11-26-21)12-30(13)23(31)16-6-5-7-17(25)19(16)22-27-14(2)35-29-22/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,28)
InChIKeyNEBQLIJRCGONFZ-UHFFFAOYSA-N
MW483.50 g/mol
LogP3.48
Rot. Bonds6

About methyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate

methyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate (PubChem CID 123235236) has the molecular formula C24H26FN5O5 and a molecular weight of 483.50 g/mol. Its IUPAC name is methyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate
PubChem CID123235236
Molecular FormulaC24H26FN5O5
Molecular Weight483.50 g/mol
Exact Mass483.19
IUPAC Namemethyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1c(OC)ccnc1NC1CCC(C)N(C(=O)c2cccc(F)c2-c2noc(C)n2)C1
InChIInChI=1S/C24H26FN5O5/c1-13-8-9-15(28-21-20(24(32)34-4)18(33-3)10-11-26-21)12-30(13)23(31)16-6-5-7-17(25)19(16)22-27-14(2)35-29-22/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,28)
InChIKeyNEBQLIJRCGONFZ-UHFFFAOYSA-N
XLogP3.48
TPSA119.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate (CID 123235236) is methyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate is COC(=O)c1c(OC)ccnc1NC1CCC(C)N(C(=O)c2cccc(F)c2-c2noc(C)n2)C1.
What is the InChIKey of methyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate?
The InChIKey is NEBQLIJRCGONFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O5/c1-13-8-9-15(28-21-20(24(32)34-4)18(33-3)10-11-26-21)12-30(13)23(31)16-6-5-7-17(25)19(16)22-27-14(2)35-29-22/h5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,26,28).
What are the key properties of methyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate?
methyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate has a molecular weight of 483.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-6-methylpiperidin-3-yl]amino]-4-methoxypyridine-3-carboxylate is sourced from PubChem (CID 123235236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).