(2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide

C15H21N3O2 — CID 164640746

IUPAC(2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide
SMILESCC[C@@H](C(=O)N(CC)c1ccncc1)N1CCCC1=O
InChIInChI=1S/C15H21N3O2/c1-3-13(18-11-5-6-14(18)19)15(20)17(4-2)12-7-9-16-10-8-12/h7-10,13H,3-6,11H2,1-2H3/t13-/m0/s1
InChIKeyGCWMEPQFUKBFKS-ZDUSSCGKSA-N
MW275.35 g/mol
LogP1.84
Rot. Bonds5

About (2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide

(2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide (PubChem CID 164640746) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide
PubChem CID164640746
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide
SMILESCC[C@@H](C(=O)N(CC)c1ccncc1)N1CCCC1=O
InChIInChI=1S/C15H21N3O2/c1-3-13(18-11-5-6-14(18)19)15(20)17(4-2)12-7-9-16-10-8-12/h7-10,13H,3-6,11H2,1-2H3/t13-/m0/s1
InChIKeyGCWMEPQFUKBFKS-ZDUSSCGKSA-N
XLogP1.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide?
The IUPAC name of (2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide (CID 164640746) is (2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide.
What is the SMILES notation for (2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide?
The canonical SMILES for (2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide is CC[C@@H](C(=O)N(CC)c1ccncc1)N1CCCC1=O.
What is the InChIKey of (2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide?
The InChIKey is GCWMEPQFUKBFKS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-13(18-11-5-6-14(18)19)15(20)17(4-2)12-7-9-16-10-8-12/h7-10,13H,3-6,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide?
(2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide has a molecular weight of 275.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 164640746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).