5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine

C17H27BrN4O — CID 124888694

IUPAC5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine
SMILESC[C@@H]1CN(C)[C@H](C)C[C@@H]1Nc1cnc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C17H27BrN4O/c1-12-11-21(3)13(2)8-16(12)20-14-9-15(18)17(19-10-14)22-4-6-23-7-5-22/h9-10,12-13,16,20H,4-8,11H2,1-3H3/t12-,13-,16+/m1/s1
InChIKeyMBEQOAGNOIHSSM-IOASZLSFSA-N
MW383.33 g/mol
LogP2.82
Rot. Bonds3

About 5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine

5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine (PubChem CID 124888694) has the molecular formula C17H27BrN4O and a molecular weight of 383.33 g/mol. Its IUPAC name is 5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine
PubChem CID124888694
Molecular FormulaC17H27BrN4O
Molecular Weight383.33 g/mol
Exact Mass382.14
IUPAC Name5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine
SMILESC[C@@H]1CN(C)[C@H](C)C[C@@H]1Nc1cnc(N2CCOCC2)c(Br)c1
InChIInChI=1S/C17H27BrN4O/c1-12-11-21(3)13(2)8-16(12)20-14-9-15(18)17(19-10-14)22-4-6-23-7-5-22/h9-10,12-13,16,20H,4-8,11H2,1-3H3/t12-,13-,16+/m1/s1
InChIKeyMBEQOAGNOIHSSM-IOASZLSFSA-N
XLogP2.82
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine?
The IUPAC name of 5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine (CID 124888694) is 5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine?
The canonical SMILES for 5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine is C[C@@H]1CN(C)[C@H](C)C[C@@H]1Nc1cnc(N2CCOCC2)c(Br)c1.
What is the InChIKey of 5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine?
The InChIKey is MBEQOAGNOIHSSM-IOASZLSFSA-N. The full InChI is InChI=1S/C17H27BrN4O/c1-12-11-21(3)13(2)8-16(12)20-14-9-15(18)17(19-10-14)22-4-6-23-7-5-22/h9-10,12-13,16,20H,4-8,11H2,1-3H3/t12-,13-,16+/m1/s1.
What are the key properties of 5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine?
5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine has a molecular weight of 383.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-morpholin-4-yl-N-[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]pyridin-3-amine is sourced from PubChem (CID 124888694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).