1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one

C13H20N4O2 — CID 155114591

IUPAC1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one
SMILESC[C@@H](N)COCc1cc(N)nc(N2CCCC2=O)c1
InChIInChI=1S/C13H20N4O2/c1-9(14)7-19-8-10-5-11(15)16-12(6-10)17-4-2-3-13(17)18/h5-6,9H,2-4,7-8,14H2,1H3,(H2,15,16)/t9-/m1/s1
InChIKeyYTBYRNXQAKAVKV-SECBINFHSA-N
MW264.33 g/mol
LogP0.65
Rot. Bonds5

About 1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one

1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one (PubChem CID 155114591) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one
PubChem CID155114591
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one
SMILESC[C@@H](N)COCc1cc(N)nc(N2CCCC2=O)c1
InChIInChI=1S/C13H20N4O2/c1-9(14)7-19-8-10-5-11(15)16-12(6-10)17-4-2-3-13(17)18/h5-6,9H,2-4,7-8,14H2,1H3,(H2,15,16)/t9-/m1/s1
InChIKeyYTBYRNXQAKAVKV-SECBINFHSA-N
XLogP0.65
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one (CID 155114591) is 1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one is C[C@@H](N)COCc1cc(N)nc(N2CCCC2=O)c1.
What is the InChIKey of 1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is YTBYRNXQAKAVKV-SECBINFHSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(14)7-19-8-10-5-11(15)16-12(6-10)17-4-2-3-13(17)18/h5-6,9H,2-4,7-8,14H2,1H3,(H2,15,16)/t9-/m1/s1.
What are the key properties of 1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one?
1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-amino-4-[[(2R)-2-aminopropoxy]methyl]-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 155114591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).