3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine

C11H16BrN3 — CID 105367397

IUPAC3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
SMILESCc1cnc(NCC2CCNC2)c(Br)c1
InChIInChI=1S/C11H16BrN3/c1-8-4-10(12)11(14-5-8)15-7-9-2-3-13-6-9/h4-5,9,13H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyYGSHDGOYQJKGSC-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.17
Rot. Bonds3

About 3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine

3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine (PubChem CID 105367397) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
PubChem CID105367397
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
SMILESCc1cnc(NCC2CCNC2)c(Br)c1
InChIInChI=1S/C11H16BrN3/c1-8-4-10(12)11(14-5-8)15-7-9-2-3-13-6-9/h4-5,9,13H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyYGSHDGOYQJKGSC-UHFFFAOYSA-N
XLogP2.17
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182
3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 105366780
N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine
CID 105367341
3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 106876197
3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
3-bromo-5-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 105367436
3-bromo-5-methyl-N-(2-pyrrolidin-2-ylethyl)pyridin-2-amine
CID 105367435
3-bromo-N-(1,4-dioxan-2-ylmethyl)-5-methylpyridin-2-amine
CID 105366774
3-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97165073
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208623
N'-(3-bromo-5-methyl-2-pyridinyl)-N-cyclopropylpropane-1,3-diamine
CID 105367269

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine (CID 105367397) is 3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine is Cc1cnc(NCC2CCNC2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine?
The InChIKey is YGSHDGOYQJKGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8-4-10(12)11(14-5-8)15-7-9-2-3-13-6-9/h4-5,9,13H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine?
3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine has a molecular weight of 270.17 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 105367397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).