(3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide

C15H17N5O3 — CID 126424696

IUPAC(3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)NCCc2nc(-c3ccccn3)no2)CC1=O
InChIInChI=1S/C15H17N5O3/c1-20-9-10(8-13(20)21)15(22)17-7-5-12-18-14(19-23-12)11-4-2-3-6-16-11/h2-4,6,10H,5,7-9H2,1H3,(H,17,22)/t10-/m0/s1
InChIKeyHHIAFMKEWWSWSX-JTQLQIEISA-N
MW315.33 g/mol
LogP0.27
Rot. Bonds5

About (3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide

(3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 126424696) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is (3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID126424696
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name(3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(=O)NCCc2nc(-c3ccccn3)no2)CC1=O
InChIInChI=1S/C15H17N5O3/c1-20-9-10(8-13(20)21)15(22)17-7-5-12-18-14(19-23-12)11-4-2-3-6-16-11/h2-4,6,10H,5,7-9H2,1H3,(H,17,22)/t10-/m0/s1
InChIKeyHHIAFMKEWWSWSX-JTQLQIEISA-N
XLogP0.27
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]cycloprop-2-ene-1-carboxamide
CID 91775954
3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide
CID 91794923
(1R,6S,8R)-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3-pyrimidin-2-yl-3-azabicyclo[4.2.0]octane-8-carboxamide
CID 170508501
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 166622994
2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99934293
N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 77096076
(3S)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97270697
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72839001
6-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-2-carboxamide
CID 77082714
1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 126449114
5-amino-4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazolidine-3-carboxamide
CID 134128002
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide (CID 126424696) is (3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide is CN1C[C@@H](C(=O)NCCc2nc(-c3ccccn3)no2)CC1=O.
What is the InChIKey of (3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is HHIAFMKEWWSWSX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N5O3/c1-20-9-10(8-13(20)21)15(22)17-7-5-12-18-14(19-23-12)11-4-2-3-6-16-11/h2-4,6,10H,5,7-9H2,1H3,(H,17,22)/t10-/m0/s1.
What are the key properties of (3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide?
(3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-5-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 126424696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).