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

C17H21N5O3 — CID 97270943

IUPAC(3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN(Cc1nc(C)no1)C(=O)[C@H]1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C17H21N5O3/c1-3-21(11-15-19-12(2)20-25-15)17(24)14-7-16(23)22(10-14)9-13-5-4-6-18-8-13/h4-6,8,14H,3,7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyJAAYQUMMHZUQFQ-AWEZNQCLSA-N
MW343.39 g/mol
LogP1.17
Rot. Bonds6

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

(3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 97270943) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID97270943
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN(Cc1nc(C)no1)C(=O)[C@H]1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C17H21N5O3/c1-3-21(11-15-19-12(2)20-25-15)17(24)14-7-16(23)22(10-14)9-13-5-4-6-18-8-13/h4-6,8,14H,3,7,9-11H2,1-2H3/t14-/m0/s1
InChIKeyJAAYQUMMHZUQFQ-AWEZNQCLSA-N
XLogP1.17
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72862596
(3R)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97207374
(3R)-N-methyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 96577692
N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72936014
1-benzyl-5-oxo-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78792740
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
(3R)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97276315
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
(3R)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97280706
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72866827
N-methyl-5-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)pyrrolidine-3-carboxamide
CID 72873471
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72933231

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 97270943) is (3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CCN(Cc1nc(C)no1)C(=O)[C@H]1CC(=O)N(Cc2cccnc2)C1.
What is the InChIKey of (3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is JAAYQUMMHZUQFQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-3-21(11-15-19-12(2)20-25-15)17(24)14-7-16(23)22(10-14)9-13-5-4-6-18-8-13/h4-6,8,14H,3,7,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97270943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).