[5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone

C13H18BrN3O2 — CID 62174330

IUPAC[5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCNc1ncc(Br)cc1C(=O)N1CCOCC1(C)C
InChIInChI=1S/C13H18BrN3O2/c1-13(2)8-19-5-4-17(13)12(18)10-6-9(14)7-16-11(10)15-3/h6-7H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyLNPCZUUSYDNEDY-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.14
Rot. Bonds2

About [5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone

[5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 62174330) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is [5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID62174330
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name[5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCNc1ncc(Br)cc1C(=O)N1CCOCC1(C)C
InChIInChI=1S/C13H18BrN3O2/c1-13(2)8-19-5-4-17(13)12(18)10-6-9(14)7-16-11(10)15-3/h6-7H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyLNPCZUUSYDNEDY-UHFFFAOYSA-N
XLogP2.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone (CID 62174330) is [5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone is CNc1ncc(Br)cc1C(=O)N1CCOCC1(C)C.
What is the InChIKey of [5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is LNPCZUUSYDNEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-13(2)8-19-5-4-17(13)12(18)10-6-9(14)7-16-11(10)15-3/h6-7H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of [5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone?
[5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 328.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(methylamino)-3-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62174330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).