(4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one

C10H12BrN3O — CID 125488930

IUPAC(4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](c2cnc(N)c(Br)c2)CC1=O
InChIInChI=1S/C10H12BrN3O/c1-14-5-7(3-9(14)15)6-2-8(11)10(12)13-4-6/h2,4,7H,3,5H2,1H3,(H2,12,13)/t7-/m0/s1
InChIKeyWPTYSBHCRCTJCV-ZETCQYMHSA-N
MW270.13 g/mol
LogP1.37
Rot. Bonds1

About (4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one

(4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one (PubChem CID 125488930) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is (4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one
PubChem CID125488930
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name(4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](c2cnc(N)c(Br)c2)CC1=O
InChIInChI=1S/C10H12BrN3O/c1-14-5-7(3-9(14)15)6-2-8(11)10(12)13-4-6/h2,4,7H,3,5H2,1H3,(H2,12,13)/t7-/m0/s1
InChIKeyWPTYSBHCRCTJCV-ZETCQYMHSA-N
XLogP1.37
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one (CID 125488930) is (4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one is CN1C[C@@H](c2cnc(N)c(Br)c2)CC1=O.
What is the InChIKey of (4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one?
The InChIKey is WPTYSBHCRCTJCV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-14-5-7(3-9(14)15)6-2-8(11)10(12)13-4-6/h2,4,7H,3,5H2,1H3,(H2,12,13)/t7-/m0/s1.
What are the key properties of (4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one?
(4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one has a molecular weight of 270.13 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 125488930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).