[5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone

C16H24BrN3O — CID 104968772

IUPAC[5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCCNc1ncc(Br)cc1C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C16H24BrN3O/c1-4-8-18-15-14(9-13(17)10-19-15)16(21)20-11(2)6-5-7-12(20)3/h9-12H,4-8H2,1-3H3,(H,18,19)/t11-,12+
InChIKeyXGAKFCOXVRYGOC-TXEJJXNPSA-N
MW354.29 g/mol
LogP4.07
Rot. Bonds4

About [5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone

[5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 104968772) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is [5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID104968772
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name[5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCCNc1ncc(Br)cc1C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C16H24BrN3O/c1-4-8-18-15-14(9-13(17)10-19-15)16(21)20-11(2)6-5-7-12(20)3/h9-12H,4-8H2,1-3H3,(H,18,19)/t11-,12+
InChIKeyXGAKFCOXVRYGOC-TXEJJXNPSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
[5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63627596
[5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 62172208
[5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186045
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968760
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210
[5-bromo-2-(propylamino)-3-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 62967844
5-bromo-N-cyclopropyl-N-ethyl-2-(propylamino)pyridine-3-carboxamide
CID 62167913
5-bromo-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62169500
5-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62181795
N-(2-acetamidoethyl)-5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62169539

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of [5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone (CID 104968772) is [5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for [5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone is CCCNc1ncc(Br)cc1C(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of [5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is XGAKFCOXVRYGOC-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-4-8-18-15-14(9-13(17)10-19-15)16(21)20-11(2)6-5-7-12(20)3/h9-12H,4-8H2,1-3H3,(H,18,19)/t11-,12+.
What are the key properties of [5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
[5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 354.29 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 104968772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).