[5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

C15H22BrN3O2 — CID 62186045

IUPAC[5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCCNc1ncc(Br)cc1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C15H22BrN3O2/c1-2-5-17-14-13(8-12(16)9-18-14)15(21)19-6-3-11(10-20)4-7-19/h8-9,11,20H,2-7,10H2,1H3,(H,17,18)
InChIKeyXMVFLFIQJIETJP-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.51
Rot. Bonds5

About [5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

[5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 62186045) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is [5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID62186045
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name[5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCCNc1ncc(Br)cc1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C15H22BrN3O2/c1-2-5-17-14-13(8-12(16)9-18-14)15(21)19-6-3-11(10-20)4-7-19/h8-9,11,20H,2-7,10H2,1H3,(H,17,18)
InChIKeyXMVFLFIQJIETJP-UHFFFAOYSA-N
XLogP2.51
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-(propylamino)-3-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 63627596
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-ethylpiperidin-1-yl)methanone
CID 62176736
[5-bromo-2-(propylamino)-3-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 62967844
[5-bromo-2-(propylamino)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 62172208
[5-bromo-2-(propylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968772
5-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62181795
5-bromo-N-(1-methylpiperidin-4-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62169500
5-bromo-N-cyclobutyl-2-(propylamino)pyridine-3-carboxamide
CID 62414263
[5-bromo-2-(ethylamino)-3-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681677
5-bromo-N-cycloheptyl-2-(propylamino)pyridine-3-carboxamide
CID 63501657
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
5-bromo-2-(propylamino)pyridine-3-carboxamide
CID 62167210

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 62186045) is [5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is CCCNc1ncc(Br)cc1C(=O)N1CCC(CO)CC1.
What is the InChIKey of [5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is XMVFLFIQJIETJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-2-5-17-14-13(8-12(16)9-18-14)15(21)19-6-3-11(10-20)4-7-19/h8-9,11,20H,2-7,10H2,1H3,(H,17,18).
What are the key properties of [5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
[5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 356.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(propylamino)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62186045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).