4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one

C15H23N3O — CID 104512764

IUPAC4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCNc1cccc(CN2CC(C(C)(C)C)CC2=O)n1
InChIInChI=1S/C15H23N3O/c1-15(2,3)11-8-14(19)18(9-11)10-12-6-5-7-13(16-4)17-12/h5-7,11H,8-10H2,1-4H3,(H,16,17)
InChIKeyMKMMBHKRRQRWDQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.52
Rot. Bonds3

About 4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one

4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 104512764) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID104512764
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCNc1cccc(CN2CC(C(C)(C)C)CC2=O)n1
InChIInChI=1S/C15H23N3O/c1-15(2,3)11-8-14(19)18(9-11)10-12-6-5-7-13(16-4)17-12/h5-7,11H,8-10H2,1-4H3,(H,16,17)
InChIKeyMKMMBHKRRQRWDQ-UHFFFAOYSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512703
1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512787
1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-2,5-dione
CID 79231809
1-[[6-(methylamino)-2-pyridinyl]methyl]-4-propylpiperazine-2,5-dione
CID 79942321
1-[[6-(methylamino)-2-pyridinyl]methyl]-5-propan-2-ylazepan-2-one
CID 79234023
1-[(3-aminophenyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510947
N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 79233400
4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 104512793
1-[(4-amino-1,3-benzoxazol-2-yl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510941
N-methyl-6-[(2-methylpiperidin-1-yl)methyl]pyridin-2-amine
CID 79243246
6-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylpyridin-2-amine
CID 102966687
1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 114082462

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one (CID 104512764) is 4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one is CNc1cccc(CN2CC(C(C)(C)C)CC2=O)n1.
What is the InChIKey of 4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is MKMMBHKRRQRWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,3)11-8-14(19)18(9-11)10-12-6-5-7-13(16-4)17-12/h5-7,11H,8-10H2,1-4H3,(H,16,17).
What are the key properties of 4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one?
4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 104512764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).