1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol

C14H22BrN3O2 — CID 71970957

IUPAC1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCc1cc(Br)cnc1N(C)CC(O)CN1CCOCC1
InChIInChI=1S/C14H22BrN3O2/c1-11-7-12(15)8-16-14(11)17(2)9-13(19)10-18-3-5-20-6-4-18/h7-8,13,19H,3-6,9-10H2,1-2H3
InChIKeySXKUOUAMFFQAJW-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.28
Rot. Bonds5

About 1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol

1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 71970957) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID71970957
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCc1cc(Br)cnc1N(C)CC(O)CN1CCOCC1
InChIInChI=1S/C14H22BrN3O2/c1-11-7-12(15)8-16-14(11)17(2)9-13(19)10-18-3-5-20-6-4-18/h7-8,13,19H,3-6,9-10H2,1-2H3
InChIKeySXKUOUAMFFQAJW-UHFFFAOYSA-N
XLogP1.28
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol (CID 71970957) is 1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol is Cc1cc(Br)cnc1N(C)CC(O)CN1CCOCC1.
What is the InChIKey of 1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is SXKUOUAMFFQAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-11-7-12(15)8-16-14(11)17(2)9-13(19)10-18-3-5-20-6-4-18/h7-8,13,19H,3-6,9-10H2,1-2H3.
What are the key properties of 1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol?
1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 344.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 71970957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).