2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide

C26H26N8O3 — CID 67514287

IUPAC2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide
SMILESCN(Cc1ccn(C)n1)C(=O)c1cc(-c2ncco2)nc(-c2nnc([C@@](C)(N)Cc3ccccc3)o2)c1
InChIInChI=1S/C26H26N8O3/c1-26(27,15-17-7-5-4-6-8-17)25-31-30-23(37-25)21-14-18(13-20(29-21)22-28-10-12-36-22)24(35)33(2)16-19-9-11-34(3)32-19/h4-14H,15-16,27H2,1-3H3/t26-/m0/s1
InChIKeyHZULWNCGHFVTQF-SANMLTNESA-N
MW498.55 g/mol
LogP3.21
Rot. Bonds8

About 2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide

2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide (PubChem CID 67514287) has the molecular formula C26H26N8O3 and a molecular weight of 498.55 g/mol. Its IUPAC name is 2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide
PubChem CID67514287
Molecular FormulaC26H26N8O3
Molecular Weight498.55 g/mol
Exact Mass498.21
IUPAC Name2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide
SMILESCN(Cc1ccn(C)n1)C(=O)c1cc(-c2ncco2)nc(-c2nnc([C@@](C)(N)Cc3ccccc3)o2)c1
InChIInChI=1S/C26H26N8O3/c1-26(27,15-17-7-5-4-6-8-17)25-31-30-23(37-25)21-14-18(13-20(29-21)22-28-10-12-36-22)24(35)33(2)16-19-9-11-34(3)32-19/h4-14H,15-16,27H2,1-3H3/t26-/m0/s1
InChIKeyHZULWNCGHFVTQF-SANMLTNESA-N
XLogP3.21
TPSA141.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide (CID 67514287) is 2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide is CN(Cc1ccn(C)n1)C(=O)c1cc(-c2ncco2)nc(-c2nnc([C@@](C)(N)Cc3ccccc3)o2)c1.
What is the InChIKey of 2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
The InChIKey is HZULWNCGHFVTQF-SANMLTNESA-N. The full InChI is InChI=1S/C26H26N8O3/c1-26(27,15-17-7-5-4-6-8-17)25-31-30-23(37-25)21-14-18(13-20(29-21)22-28-10-12-36-22)24(35)33(2)16-19-9-11-34(3)32-19/h4-14H,15-16,27H2,1-3H3/t26-/m0/s1.
What are the key properties of 2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide has a molecular weight of 498.55 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2S)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 67514287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).