5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine

C11H16BrN3O2 — CID 103530687

IUPAC5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine
SMILESCOC1CN(c2c(N)cncc2Br)CC1OC
InChIInChI=1S/C11H16BrN3O2/c1-16-9-5-15(6-10(9)17-2)11-7(12)3-14-4-8(11)13/h3-4,9-10H,5-6,13H2,1-2H3
InChIKeyXNOWOLVEKQGKPF-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.28
Rot. Bonds3

About 5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine

5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine (PubChem CID 103530687) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine
PubChem CID103530687
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine
SMILESCOC1CN(c2c(N)cncc2Br)CC1OC
InChIInChI=1S/C11H16BrN3O2/c1-16-9-5-15(6-10(9)17-2)11-7(12)3-14-4-8(11)13/h3-4,9-10H,5-6,13H2,1-2H3
InChIKeyXNOWOLVEKQGKPF-UHFFFAOYSA-N
XLogP1.28
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine (CID 103530687) is 5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine is COC1CN(c2c(N)cncc2Br)CC1OC.
What is the InChIKey of 5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine?
The InChIKey is XNOWOLVEKQGKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-16-9-5-15(6-10(9)17-2)11-7(12)3-14-4-8(11)13/h3-4,9-10H,5-6,13H2,1-2H3.
What are the key properties of 5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine?
5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine has a molecular weight of 302.17 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine is sourced from PubChem (CID 103530687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).