(2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone

C13H18BrN3O — CID 62185337

IUPAC(2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C13H18BrN3O/c1-2-9-3-5-17(6-4-9)13(18)11-7-10(14)8-16-12(11)15/h7-9H,2-6H2,1H3,(H2,15,16)
InChIKeyXHAATQYQDWDQOQ-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.69
Rot. Bonds2

About (2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone

(2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 62185337) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID62185337
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C13H18BrN3O/c1-2-9-3-5-17(6-4-9)13(18)11-7-10(14)8-16-12(11)15/h7-9H,2-6H2,1H3,(H2,15,16)
InChIKeyXHAATQYQDWDQOQ-UHFFFAOYSA-N
XLogP2.69
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone
CID 62176736
(2-amino-5-bromo-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 62185190
(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605142
(5-bromo-2-chloro-3-pyridinyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697918
(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62776114
(2-amino-5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 55049058
(5-amino-1H-pyrazol-4-yl)-(4-ethylpiperidin-1-yl)methanone
CID 61421520
(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968760
(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 47436089
(2-amino-5-bromo-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 55141157
[5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186045
2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide
CID 62153959

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone (CID 62185337) is (2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)c2cc(Br)cnc2N)CC1.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is XHAATQYQDWDQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-2-9-3-5-17(6-4-9)13(18)11-7-10(14)8-16-12(11)15/h7-9H,2-6H2,1H3,(H2,15,16).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone?
(2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 312.21 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 62185337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).