(3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide

C15H21N3O3 — CID 129352034

IUPAC(3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N3O3/c1-9-5-6-11(14(21)16-9)17-13(20)10-7-12(19)18(8-10)15(2,3)4/h5-6,10H,7-8H2,1-4H3,(H,16,21)(H,17,20)/t10-/m1/s1
InChIKeyBOHYZAFUOHMIPG-SNVBAGLBSA-N
MW291.35 g/mol
LogP1.27
Rot. Bonds2

About (3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 129352034) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID129352034
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N3O3/c1-9-5-6-11(14(21)16-9)17-13(20)10-7-12(19)18(8-10)15(2,3)4/h5-6,10H,7-8H2,1-4H3,(H,16,21)(H,17,20)/t10-/m1/s1
InChIKeyBOHYZAFUOHMIPG-SNVBAGLBSA-N
XLogP1.27
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081100
(3R)-1-tert-butyl-N-[2-(tert-butylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9352665
3-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-4-hydroxybenzoic acid
CID 108753950
(3S)-N-(4-bromophenyl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352311
1-tert-butyl-N-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885866
1-tert-butyl-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081152
1-tert-butyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120882525
1-tert-butyl-N-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081161
1-tert-butyl-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 17081125
ethyl 4-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 6471772
N-(4-bromo-2-chlorophenyl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17119139
1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17081114

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 129352034) is (3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c(=O)[nH]1.
What is the InChIKey of (3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BOHYZAFUOHMIPG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-5-6-11(14(21)16-9)17-13(20)10-7-12(19)18(8-10)15(2,3)4/h5-6,10H,7-8H2,1-4H3,(H,16,21)(H,17,20)/t10-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-N-(6-methyl-2-oxo-1H-pyridin-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 129352034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).