1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione

C14H19N3O3 — CID 61375350

IUPAC1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
SMILESCC(C)Oc1ncccc1CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C14H19N3O3/c1-9(2)20-13-10(5-4-6-15-13)8-16-11-7-12(18)17(3)14(11)19/h4-6,9,11,16H,7-8H2,1-3H3
InChIKeyVXUNMQBAPLBWLO-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.72
Rot. Bonds5

About 1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione

1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione (PubChem CID 61375350) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
PubChem CID61375350
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
SMILESCC(C)Oc1ncccc1CNC1CC(=O)N(C)C1=O
InChIInChI=1S/C14H19N3O3/c1-9(2)20-13-10(5-4-6-15-13)8-16-11-7-12(18)17(3)14(11)19/h4-6,9,11,16H,7-8H2,1-3H3
InChIKeyVXUNMQBAPLBWLO-UHFFFAOYSA-N
XLogP0.72
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
CID 103561785
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79741488
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43635991
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopentan-1-amine
CID 79860528
2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cyclopentan-1-ol
CID 61374613
1-methyl-3-[(3-methyl-4-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 114699422
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 62991848
2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 114527554

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione (CID 61375350) is 1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione is CC(C)Oc1ncccc1CNC1CC(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is VXUNMQBAPLBWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(2)20-13-10(5-4-6-15-13)8-16-11-7-12(18)17(3)14(11)19/h4-6,9,11,16H,7-8H2,1-3H3.
What are the key properties of 1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione?
1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 277.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 61375350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).