3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine

C14H22BrN3 — CID 105366766

IUPAC3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCc1cnc(NCC(C)N2CCCCC2)c(Br)c1
InChIInChI=1S/C14H22BrN3/c1-11-8-13(15)14(16-9-11)17-10-12(2)18-6-4-3-5-7-18/h8-9,12H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyBFPIAEBUDZQSAR-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.44
Rot. Bonds4

About 3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine

3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine (PubChem CID 105366766) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
PubChem CID105366766
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
SMILESCc1cnc(NCC(C)N2CCCCC2)c(Br)c1
InChIInChI=1S/C14H22BrN3/c1-11-8-13(15)14(16-9-11)17-10-12(2)18-6-4-3-5-7-18/h8-9,12H,3-7,10H2,1-2H3,(H,16,17)
InChIKeyBFPIAEBUDZQSAR-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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Related Compounds

5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 79035165
5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796017
3,5-dichloro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899459
1-N-(3-bromo-5-methyl-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 130505489
5-bromo-2-N-methyl-4-N-(2-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 80819201
1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol
CID 105367163
3-bromo-N-(2-chloro-2-cyclopropylethyl)-5-methylpyridin-2-amine
CID 105368724
3-chloro-2-N-(2-piperidin-1-ylpropyl)pyridine-2,5-diamine
CID 114046187
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
N-(2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 61017565
2-methyl-N-(2-piperidin-1-ylpropyl)pyridin-4-amine
CID 113482571
5-methyl-4-N-(2-piperidin-1-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80792116

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine (CID 105366766) is 3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine is Cc1cnc(NCC(C)N2CCCCC2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
The InChIKey is BFPIAEBUDZQSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-11-8-13(15)14(16-9-11)17-10-12(2)18-6-4-3-5-7-18/h8-9,12H,3-7,10H2,1-2H3,(H,16,17).
What are the key properties of 3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine?
3-bromo-5-methyl-N-(2-piperidin-1-ylpropyl)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-5-methyl-N-(2-piperidin-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 105366766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).