(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C15H21N3O3 — CID 95764727

IUPAC(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1=O
InChIInChI=1S/C15H21N3O3/c1-4-18-8-11(6-13(18)19)14(20)16-7-12-9(2)5-10(3)17-15(12)21/h5,11H,4,6-8H2,1-3H3,(H,16,20)(H,17,21)/t11-/m1/s1
InChIKeyHXLGKVZPQWUTAI-LLVKDONJSA-N
MW291.35 g/mol
LogP0.48
Rot. Bonds4

About (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95764727) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95764727
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1=O
InChIInChI=1S/C15H21N3O3/c1-4-18-8-11(6-13(18)19)14(20)16-7-12-9(2)5-10(3)17-15(12)21/h5,11H,4,6-8H2,1-3H3,(H,16,20)(H,17,21)/t11-/m1/s1
InChIKeyHXLGKVZPQWUTAI-LLVKDONJSA-N
XLogP0.48
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 95764727) is (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1=O.
What is the InChIKey of (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HXLGKVZPQWUTAI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-18-8-11(6-13(18)19)14(20)16-7-12-9(2)5-10(3)17-15(12)21/h5,11H,4,6-8H2,1-3H3,(H,16,20)(H,17,21)/t11-/m1/s1.
What are the key properties of (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95764727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).