3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine

C20H24BrN3O2 — CID 155425822

IUPAC3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(C3CCOCC3)c([C@@H]3COCCN3)c2)cc1Br
InChIInChI=1S/C20H24BrN3O2/c21-18-10-15(11-24-20(18)22)14-1-2-16(13-3-6-25-7-4-13)17(9-14)19-12-26-8-5-23-19/h1-2,9-11,13,19,23H,3-8,12H2,(H2,22,24)/t19-/m0/s1
InChIKeyFRHPKPVZCISZPT-IBGZPJMESA-N
MW418.34 g/mol
LogP3.65
Rot. Bonds3

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

3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine (PubChem CID 155425822) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine
PubChem CID155425822
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine
SMILESNc1ncc(-c2ccc(C3CCOCC3)c([C@@H]3COCCN3)c2)cc1Br
InChIInChI=1S/C20H24BrN3O2/c21-18-10-15(11-24-20(18)22)14-1-2-16(13-3-6-25-7-4-13)17(9-14)19-12-26-8-5-23-19/h1-2,9-11,13,19,23H,3-8,12H2,(H2,22,24)/t19-/m0/s1
InChIKeyFRHPKPVZCISZPT-IBGZPJMESA-N
XLogP3.65
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine (CID 155425822) is 3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine is Nc1ncc(-c2ccc(C3CCOCC3)c([C@@H]3COCCN3)c2)cc1Br.
What is the InChIKey of 3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine?
The InChIKey is FRHPKPVZCISZPT-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24BrN3O2/c21-18-10-15(11-24-20(18)22)14-1-2-16(13-3-6-25-7-4-13)17(9-14)19-12-26-8-5-23-19/h1-2,9-11,13,19,23H,3-8,12H2,(H2,22,24)/t19-/m0/s1.
What are the key properties of 3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine?
3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine has a molecular weight of 418.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[3-[(3R)-morpholin-3-yl]-4-(oxan-4-yl)phenyl]pyridin-2-amine is sourced from PubChem (CID 155425822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).