3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine

C11H16BrN3 — CID 106876197

IUPAC3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
SMILESCc1ccnc(NCC2CCNC2)c1Br
InChIInChI=1S/C11H16BrN3/c1-8-2-5-14-11(10(8)12)15-7-9-3-4-13-6-9/h2,5,9,13H,3-4,6-7H2,1H3,(H,14,15)
InChIKeyPKINYBFPJFHSKY-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.17
Rot. Bonds3

About 3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine

3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine (PubChem CID 106876197) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
PubChem CID106876197
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
SMILESCc1ccnc(NCC2CCNC2)c1Br
InChIInChI=1S/C11H16BrN3/c1-8-2-5-14-11(10(8)12)15-7-9-3-4-13-6-9/h2,5,9,13H,3-4,6-7H2,1H3,(H,14,15)
InChIKeyPKINYBFPJFHSKY-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-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 106876094
3-bromo-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106876097
3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 105367397
5-[[(3-bromo-4-methyl-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 106875761
3-bromo-N-cyclopropyl-4-methylpyridin-2-amine
CID 97181175
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208623
N-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732763
3-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 106876235
5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182
4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 97163818
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine
CID 79708209
3-nitro-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine;hydrochloride
CID 71008351

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine (CID 106876197) is 3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine is Cc1ccnc(NCC2CCNC2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine?
The InChIKey is PKINYBFPJFHSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-8-2-5-14-11(10(8)12)15-7-9-3-4-13-6-9/h2,5,9,13H,3-4,6-7H2,1H3,(H,14,15).
What are the key properties of 3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine?
3-bromo-4-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-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106876197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).