[5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone

C15H22BrN3O — CID 83061828

IUPAC[5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C15H22BrN3O/c1-3-6-12-7-4-5-8-19(12)15(20)13-9-11(16)10-18-14(13)17-2/h9-10,12H,3-8H2,1-2H3,(H,17,18)
InChIKeyFHKQVCZXDUTDIX-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.68
Rot. Bonds4

About [5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone

[5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone (PubChem CID 83061828) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is [5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
PubChem CID83061828
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name[5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1cc(Br)cnc1NC
InChIInChI=1S/C15H22BrN3O/c1-3-6-12-7-4-5-8-19(12)15(20)13-9-11(16)10-18-14(13)17-2/h9-10,12H,3-8H2,1-2H3,(H,17,18)
InChIKeyFHKQVCZXDUTDIX-UHFFFAOYSA-N
XLogP3.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(ethylamino)-3-pyridinyl]-(2-ethylazepan-1-yl)methanone
CID 104691769
(5-bromo-2-hydrazinyl-3-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62243989
[5-chloro-2-(methylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 114924337
[6-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061594
(5-amino-2-methyl-3-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83053618
(2,5-dibromophenyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 114374414
3-[(2R)-1-[2-(methylamino)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 126445582
[5-bromo-2-(methylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112628646
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
(5-bromo-2-pyridinyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249413
[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 105071000
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of [5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone (CID 83061828) is [5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for [5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1cc(Br)cnc1NC.
What is the InChIKey of [5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone?
The InChIKey is FHKQVCZXDUTDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-3-6-12-7-4-5-8-19(12)15(20)13-9-11(16)10-18-14(13)17-2/h9-10,12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of [5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone?
[5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone has a molecular weight of 340.27 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83061828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).