5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine

C12H18BrN3 — CID 104531756

IUPAC5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine
SMILESCN(CCN1CCCC1)c1cncc(Br)c1
InChIInChI=1S/C12H18BrN3/c1-15(6-7-16-4-2-3-5-16)12-8-11(13)9-14-10-12/h8-10H,2-7H2,1H3
InChIKeyVYYQNEWPYNIBNO-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.38
Rot. Bonds4

About 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine

5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine (PubChem CID 104531756) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine
PubChem CID104531756
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine
SMILESCN(CCN1CCCC1)c1cncc(Br)c1
InChIInChI=1S/C12H18BrN3/c1-15(6-7-16-4-2-3-5-16)12-8-11(13)9-14-10-12/h8-10H,2-7H2,1H3
InChIKeyVYYQNEWPYNIBNO-UHFFFAOYSA-N
XLogP2.38
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 63209240
[5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-pyridinyl]methanol
CID 55162448
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531843
2-[(5-bromo-3-pyridinyl)oxy]-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 84599769
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
CID 115657325
5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine
CID 133398152
2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 63206971
1-[(5-bromo-3-pyridinyl)methyl]azocane
CID 115580857
(1R)-1-[5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938756
5-bromo-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 114890672
5-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 66319979

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine (CID 104531756) is 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine is CN(CCN1CCCC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine?
The InChIKey is VYYQNEWPYNIBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-15(6-7-16-4-2-3-5-16)12-8-11(13)9-14-10-12/h8-10H,2-7H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine?
5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine has a molecular weight of 284.20 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine is sourced from PubChem (CID 104531756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).