5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine

C12H18BrN3 — CID 115657159

IUPAC5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine
SMILESCC(CN1CCCC1)Nc1cncc(Br)c1
InChIInChI=1S/C12H18BrN3/c1-10(9-16-4-2-3-5-16)15-12-6-11(13)7-14-8-12/h6-8,10,15H,2-5,9H2,1H3
InChIKeyQITAAQYOCCMYAR-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.74
Rot. Bonds4

About 5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine

5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine (PubChem CID 115657159) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine
PubChem CID115657159
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine
SMILESCC(CN1CCCC1)Nc1cncc(Br)c1
InChIInChI=1S/C12H18BrN3/c1-10(9-16-4-2-3-5-16)15-12-6-11(13)7-14-8-12/h6-8,10,15H,2-5,9H2,1H3
InChIKeyQITAAQYOCCMYAR-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine (CID 115657159) is 5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine is CC(CN1CCCC1)Nc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine?
The InChIKey is QITAAQYOCCMYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-10(9-16-4-2-3-5-16)15-12-6-11(13)7-14-8-12/h6-8,10,15H,2-5,9H2,1H3.
What are the key properties of 5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine?
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine has a molecular weight of 284.20 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 115657159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).