3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine

C14H22BrN3 — CID 106875617

IUPAC3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine
SMILESCc1ccnc(NC(C)CN2CCCCC2)c1Br
InChIInChI=1S/C14H22BrN3/c1-11-6-7-16-14(13(11)15)17-12(2)10-18-8-4-3-5-9-18/h6-7,12H,3-5,8-10H2,1-2H3,(H,16,17)
InChIKeyFALBEYAIRIIJLK-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.44
Rot. Bonds4

About 3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine

3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine (PubChem CID 106875617) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine
PubChem CID106875617
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine
SMILESCc1ccnc(NC(C)CN2CCCCC2)c1Br
InChIInChI=1S/C14H22BrN3/c1-11-6-7-16-14(13(11)15)17-12(2)10-18-8-4-3-5-9-18/h6-7,12H,3-5,8-10H2,1-2H3,(H,16,17)
InChIKeyFALBEYAIRIIJLK-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine (CID 106875617) is 3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine is Cc1ccnc(NC(C)CN2CCCCC2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is FALBEYAIRIIJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-11-6-7-16-14(13(11)15)17-12(2)10-18-8-4-3-5-9-18/h6-7,12H,3-5,8-10H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine?
3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 312.25 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 106875617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).