3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine

C20H24BrN3O — CID 155425715

IUPAC3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(C3CCOCC3)c([C@@H]3CCCN3)c2)cc1Br
InChIInChI=1S/C20H24BrN3O/c21-18-11-15(12-24-20(18)22)14-3-4-16(13-5-8-25-9-6-13)17(10-14)19-2-1-7-23-19/h3-4,10-13,19,23H,1-2,5-9H2,(H2,22,24)/t19-/m0/s1
InChIKeyPGEDNFLIIQVHFX-IBGZPJMESA-N
MW402.34 g/mol
LogP4.41
Rot. Bonds3

About 3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine

3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine (PubChem CID 155425715) has the molecular formula C20H24BrN3O and a molecular weight of 402.34 g/mol. Its IUPAC name is 3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
PubChem CID155425715
Molecular FormulaC20H24BrN3O
Molecular Weight402.34 g/mol
Exact Mass401.11
IUPAC Name3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(C3CCOCC3)c([C@@H]3CCCN3)c2)cc1Br
InChIInChI=1S/C20H24BrN3O/c21-18-11-15(12-24-20(18)22)14-3-4-16(13-5-8-25-9-6-13)17(10-14)19-2-1-7-23-19/h3-4,10-13,19,23H,1-2,5-9H2,(H2,22,24)/t19-/m0/s1
InChIKeyPGEDNFLIIQVHFX-IBGZPJMESA-N
XLogP4.41
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine
CID 155425822
3-(2-fluoro-4-pyridinyl)-5-[4-(oxan-4-yl)-3-[(2R)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
CID 155426012
3-(2-fluoro-4-pyridinyl)-5-[4-(oxetan-3-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
CID 155425819
tert-butyl (2S)-2-[5-(6-amino-5-bromo-3-pyridinyl)-2-(oxan-4-yl)phenyl]pyrrolidine-1-carboxylate
CID 164786537
(NE,S)-N-[[5-(6-amino-5-bromo-3-pyridinyl)-2-(oxan-4-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 164786532
N-(2-hydroxy-2-methylpropyl)-5-[4-(oxan-4-yl)-3-pyrrolidin-2-ylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 164782594
3-(2-fluoro-4-pyridinyl)-5-[4-(4-methoxycyclohexyl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine
CID 155425895
5-[3-[(6R)-5-azaspiro[2.4]heptan-6-yl]-4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155425893
5-[3-[(2S,3S)-3-methylpyrrolidin-2-yl]-4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155425929
3-(2-fluoro-4-pyridinyl)-5-[3-[(6S)-6-methylmorpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine
CID 155425820
5-methyl-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274526
5-chloro-3-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55273654

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine (CID 155425715) is 3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine is Nc1ncc(-c2ccc(C3CCOCC3)c([C@@H]3CCCN3)c2)cc1Br.
What is the InChIKey of 3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
The InChIKey is PGEDNFLIIQVHFX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24BrN3O/c21-18-11-15(12-24-20(18)22)14-3-4-16(13-5-8-25-9-6-13)17(10-14)19-2-1-7-23-19/h3-4,10-13,19,23H,1-2,5-9H2,(H2,22,24)/t19-/m0/s1.
What are the key properties of 3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine?
3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine has a molecular weight of 402.34 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[4-(oxan-4-yl)-3-[(2S)-pyrrolidin-2-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 155425715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).