(5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one

C13H19N3O — CID 141078121

IUPAC(5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one
SMILESCc1cccc(CN(C)C[C@H]2CCC(=O)N2)n1
InChIInChI=1S/C13H19N3O/c1-10-4-3-5-11(14-10)8-16(2)9-12-6-7-13(17)15-12/h3-5,12H,6-9H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyLRMUHDXYQMLAIV-GFCCVEGCSA-N
MW233.31 g/mol
LogP1.10
Rot. Bonds4

About (5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one

(5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one (PubChem CID 141078121) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one
PubChem CID141078121
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one
SMILESCc1cccc(CN(C)C[C@H]2CCC(=O)N2)n1
InChIInChI=1S/C13H19N3O/c1-10-4-3-5-11(14-10)8-16(2)9-12-6-7-13(17)15-12/h3-5,12H,6-9H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyLRMUHDXYQMLAIV-GFCCVEGCSA-N
XLogP1.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one (CID 141078121) is (5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one is Cc1cccc(CN(C)C[C@H]2CCC(=O)N2)n1.
What is the InChIKey of (5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one?
The InChIKey is LRMUHDXYQMLAIV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-4-3-5-11(14-10)8-16(2)9-12-6-7-13(17)15-12/h3-5,12H,6-9H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one?
(5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 141078121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).