2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide

C17H26BrN3O3 — CID 71924909

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide
SMILESCC(O)CN1CCC(CN(C)C(=O)Cn2cc(Br)ccc2=O)CC1
InChIInChI=1S/C17H26BrN3O3/c1-13(22)9-20-7-5-14(6-8-20)10-19(2)17(24)12-21-11-15(18)3-4-16(21)23/h3-4,11,13-14,22H,5-10,12H2,1-2H3
InChIKeyKLEMROIIZDNSTC-UHFFFAOYSA-N
MW400.32 g/mol
LogP1.16
Rot. Bonds6

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide (PubChem CID 71924909) has the molecular formula C17H26BrN3O3 and a molecular weight of 400.32 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide
PubChem CID71924909
Molecular FormulaC17H26BrN3O3
Molecular Weight400.32 g/mol
Exact Mass399.12
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide
SMILESCC(O)CN1CCC(CN(C)C(=O)Cn2cc(Br)ccc2=O)CC1
InChIInChI=1S/C17H26BrN3O3/c1-13(22)9-20-7-5-14(6-8-20)10-19(2)17(24)12-21-11-15(18)3-4-16(21)23/h3-4,11,13-14,22H,5-10,12H2,1-2H3
InChIKeyKLEMROIIZDNSTC-UHFFFAOYSA-N
XLogP1.16
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide with MolForge

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Related Compounds

5-Bromo-1-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 43427913
5-Bromo-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 43427928
5-Bromo-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 52328870
5-Bromo-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 54878741
5-Bromo-1-[2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 56404035
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylacetamide
CID 65981305
5-Bromo-1-[2-[4-(2-methylpropoxy)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 71890016
5-Bromo-1-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 80706988
2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]-N-methylacetamide
CID 97087139
2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl]-N-methylacetamide
CID 97087140
2-(5-bromo-2-oxo-1-pyridinyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658247
5-Bromo-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 103901117

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide (CID 71924909) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide is CC(O)CN1CCC(CN(C)C(=O)Cn2cc(Br)ccc2=O)CC1.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is KLEMROIIZDNSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O3/c1-13(22)9-20-7-5-14(6-8-20)10-19(2)17(24)12-21-11-15(18)3-4-16(21)23/h3-4,11,13-14,22H,5-10,12H2,1-2H3.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 400.32 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 71924909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).