N-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide

C22H23N5O4 — CID 68688711

IUPACN-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C22H23N5O4/c1-23-21(29)16-11-15(12-24-13-16)20-25-22(31-26-20)18-9-5-6-10-27(18)19(28)14-30-17-7-3-2-4-8-17/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H,23,29)/t18-/m1/s1
InChIKeyKAJIQYKABLXBBU-GOSISDBHSA-N
MW421.46 g/mol
LogP2.62
Rot. Bonds6

About N-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide

N-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 68688711) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
PubChem CID68688711
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C22H23N5O4/c1-23-21(29)16-11-15(12-24-13-16)20-25-22(31-26-20)18-9-5-6-10-27(18)19(28)14-30-17-7-3-2-4-8-17/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H,23,29)/t18-/m1/s1
InChIKeyKAJIQYKABLXBBU-GOSISDBHSA-N
XLogP2.62
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 68688711) is N-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is CNC(=O)c1cncc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1.
What is the InChIKey of N-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is KAJIQYKABLXBBU-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-23-21(29)16-11-15(12-24-13-16)20-25-22(31-26-20)18-9-5-6-10-27(18)19(28)14-30-17-7-3-2-4-8-17/h2-4,7-8,11-13,18H,5-6,9-10,14H2,1H3,(H,23,29)/t18-/m1/s1.
What are the key properties of N-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
N-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68688711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).