N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide

C16H21N3O3 — CID 125170870

IUPACN-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide
SMILESCC(C)(C)N1C[C@H](CNC(=O)C(=O)c2cccnc2)CC1=O
InChIInChI=1S/C16H21N3O3/c1-16(2,3)19-10-11(7-13(19)20)8-18-15(22)14(21)12-5-4-6-17-9-12/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyJTEAAUQOOPQDDA-NSHDSACASA-N
MW303.36 g/mol
LogP1.03
Rot. Bonds4

About N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide

N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide (PubChem CID 125170870) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide
PubChem CID125170870
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide
SMILESCC(C)(C)N1C[C@H](CNC(=O)C(=O)c2cccnc2)CC1=O
InChIInChI=1S/C16H21N3O3/c1-16(2,3)19-10-11(7-13(19)20)8-18-15(22)14(21)12-5-4-6-17-9-12/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,22)/t11-/m0/s1
InChIKeyJTEAAUQOOPQDDA-NSHDSACASA-N
XLogP1.03
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-phenylacetamide
CID 99984757
1-[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 97006096
N-[[3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926307
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 110640106
1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 17081125
N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-(3-chloro-4-hydroxyphenyl)acetamide
CID 125170885
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110420802
N-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl]-2-[2-methoxyethyl(methyl)amino]acetamide
CID 131928746
(4S)-1-tert-butyl-4-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 97112054
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118953
N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964
N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-3-(1H-imidazol-2-yl)-N-methylbenzamide
CID 29213987

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide?
The IUPAC name of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide (CID 125170870) is N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide is CC(C)(C)N1C[C@H](CNC(=O)C(=O)c2cccnc2)CC1=O.
What is the InChIKey of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide?
The InChIKey is JTEAAUQOOPQDDA-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N3O3/c1-16(2,3)19-10-11(7-13(19)20)8-18-15(22)14(21)12-5-4-6-17-9-12/h4-6,9,11H,7-8,10H2,1-3H3,(H,18,22)/t11-/m0/s1.
What are the key properties of N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide?
N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide has a molecular weight of 303.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-2-oxo-2-pyridin-3-ylacetamide is sourced from PubChem (CID 125170870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).