[5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone

C15H22BrN3O2 — CID 62172208

IUPAC[5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCCCNc1ncc(Br)cc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H22BrN3O2/c1-4-5-17-14-13(6-12(16)7-18-14)15(20)19-8-10(2)21-11(3)9-19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyBBUWLCNRKDSUHG-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.92
Rot. Bonds4

About [5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone

[5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 62172208) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is [5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID62172208
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name[5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCCCNc1ncc(Br)cc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C15H22BrN3O2/c1-4-5-17-14-13(6-12(16)7-18-14)15(20)19-8-10(2)21-11(3)9-19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyBBUWLCNRKDSUHG-UHFFFAOYSA-N
XLogP2.92
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 62172208) is [5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone is CCCNc1ncc(Br)cc1C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of [5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is BBUWLCNRKDSUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-4-5-17-14-13(6-12(16)7-18-14)15(20)19-8-10(2)21-11(3)9-19/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of [5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 356.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62172208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).