5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine

C12H16BrN3 — CID 115922859

IUPAC5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine
SMILESBrc1cncc(NC2CCN(C3CC3)C2)c1
InChIInChI=1S/C12H16BrN3/c13-9-5-11(7-14-6-9)15-10-3-4-16(8-10)12-1-2-12/h5-7,10,12,15H,1-4,8H2
InChIKeyWKXCHWUKLIXKAD-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.49
Rot. Bonds3

About 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine

5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine (PubChem CID 115922859) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine
PubChem CID115922859
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine
SMILESBrc1cncc(NC2CCN(C3CC3)C2)c1
InChIInChI=1S/C12H16BrN3/c13-9-5-11(7-14-6-9)15-10-3-4-16(8-10)12-1-2-12/h5-7,10,12,15H,1-4,8H2
InChIKeyWKXCHWUKLIXKAD-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyridin-3-amine
CID 75494330
5-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-3-amine
CID 115656925
1-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrrolidin-3-amine
CID 79055593
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine
CID 115656855
5-bromo-N-(3,5-dimethylcyclohexyl)pyridin-3-amine
CID 104531796
tert-butyl 3-[(5-bromo-3-pyridinyl)amino]piperidine-1-carboxylate
CID 67958593
5-bromo-N-(3-ethylcyclobutyl)pyridin-3-amine
CID 130978854
1-cyclopropyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrolidin-3-amine
CID 62982651
1-cyclopropyl-N-(2,3,5,6-tetrafluorophenyl)pyrrolidin-3-amine
CID 107643590
3-[(1-cyclopropylpyrrolidin-3-yl)amino]benzonitrile
CID 62981268
6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 62981470
trans-(1S,2S)-2-[(5-bromo-3-pyridinyl)amino]cyclopentan-1-ol
CID 99857915

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine (CID 115922859) is 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine is Brc1cncc(NC2CCN(C3CC3)C2)c1.
What is the InChIKey of 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine?
The InChIKey is WKXCHWUKLIXKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c13-9-5-11(7-14-6-9)15-10-3-4-16(8-10)12-1-2-12/h5-7,10,12,15H,1-4,8H2.
What are the key properties of 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine?
5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine has a molecular weight of 282.19 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropylpyrrolidin-3-yl)pyridin-3-amine is sourced from PubChem (CID 115922859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).