N-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide

C20H21N5O2 — CID 28960858

IUPACN-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCN1C[C@@H](NC(=O)c2ccncc2)C[C@H]1c1nc(Cc2ccccc2)no1
InChIInChI=1S/C20H21N5O2/c1-25-13-16(22-19(26)15-7-9-21-10-8-15)12-17(25)20-23-18(24-27-20)11-14-5-3-2-4-6-14/h2-10,16-17H,11-13H2,1H3,(H,22,26)/t16-,17-/m0/s1
InChIKeyVFDGMMZOXIWKMD-IRXDYDNUSA-N
MW363.42 g/mol
LogP2.23
Rot. Bonds5

About N-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide

N-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 28960858) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID28960858
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCN1C[C@@H](NC(=O)c2ccncc2)C[C@H]1c1nc(Cc2ccccc2)no1
InChIInChI=1S/C20H21N5O2/c1-25-13-16(22-19(26)15-7-9-21-10-8-15)12-17(25)20-23-18(24-27-20)11-14-5-3-2-4-6-14/h2-10,16-17H,11-13H2,1H3,(H,22,26)/t16-,17-/m0/s1
InChIKeyVFDGMMZOXIWKMD-IRXDYDNUSA-N
XLogP2.23
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide (CID 28960858) is N-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide is CN1C[C@@H](NC(=O)c2ccncc2)C[C@H]1c1nc(Cc2ccccc2)no1.
What is the InChIKey of N-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is VFDGMMZOXIWKMD-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-25-13-16(22-19(26)15-7-9-21-10-8-15)12-17(25)20-23-18(24-27-20)11-14-5-3-2-4-6-14/h2-10,16-17H,11-13H2,1H3,(H,22,26)/t16-,17-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide?
N-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 28960858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).