(2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone

C12H16BrN3O2 — CID 114193900

IUPAC(2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc(N)ncc2Br)CCO1
InChIInChI=1S/C12H16BrN3O2/c1-2-8-7-16(3-4-18-8)12(17)9-5-11(14)15-6-10(9)13/h5-6,8H,2-4,7H2,1H3,(H2,14,15)
InChIKeyZORNXTNHKXHTAS-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.68
Rot. Bonds2

About (2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone

(2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone (PubChem CID 114193900) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is (2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
PubChem CID114193900
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name(2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc(N)ncc2Br)CCO1
InChIInChI=1S/C12H16BrN3O2/c1-2-8-7-16(3-4-18-8)12(17)9-5-11(14)15-6-10(9)13/h5-6,8H,2-4,7H2,1H3,(H2,14,15)
InChIKeyZORNXTNHKXHTAS-UHFFFAOYSA-N
XLogP1.68
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62814552
(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562755
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
(5-amino-2-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 81317078
(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 78988641
(2-amino-5-nitrophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62155670
(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81213722
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
(5-bromo-2-fluoro-4-pyridinyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647405
[4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 103925202
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 60733638

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of (2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone (CID 114193900) is (2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2cc(N)ncc2Br)CCO1.
What is the InChIKey of (2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is ZORNXTNHKXHTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-2-8-7-16(3-4-18-8)12(17)9-5-11(14)15-6-10(9)13/h5-6,8H,2-4,7H2,1H3,(H2,14,15).
What are the key properties of (2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone?
(2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone has a molecular weight of 314.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 114193900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).