3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione

C14H19N3O2 — CID 107874760

IUPAC3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2ccc(C(C)(C)C)cn2)C1=O
InChIInChI=1S/C14H19N3O2/c1-14(2,3)9-5-6-11(15-8-9)16-10-7-12(18)17(4)13(10)19/h5-6,8,10H,7H2,1-4H3,(H,15,16)
InChIKeyVBKOLRVPRQZJDY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.55
Rot. Bonds2

About 3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione

3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 107874760) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID107874760
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2ccc(C(C)(C)C)cn2)C1=O
InChIInChI=1S/C14H19N3O2/c1-14(2,3)9-5-6-11(15-8-9)16-10-7-12(18)17(4)13(10)19/h5-6,8,10H,7H2,1-4H3,(H,15,16)
InChIKeyVBKOLRVPRQZJDY-UHFFFAOYSA-N
XLogP1.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione (CID 107874760) is 3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(Nc2ccc(C(C)(C)C)cn2)C1=O.
What is the InChIKey of 3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is VBKOLRVPRQZJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)9-5-6-11(15-8-9)16-10-7-12(18)17(4)13(10)19/h5-6,8,10H,7H2,1-4H3,(H,15,16).
What are the key properties of 3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 107874760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).