3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide

C16H23BrN4O3 — CID 60559680

IUPAC3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
SMILESCNC(=O)CN1CCC(NC(=O)CCn2cc(Br)ccc2=O)CC1
InChIInChI=1S/C16H23BrN4O3/c1-18-15(23)11-20-7-4-13(5-8-20)19-14(22)6-9-21-10-12(17)2-3-16(21)24/h2-3,10,13H,4-9,11H2,1H3,(H,18,23)(H,19,22)
InChIKeyBZPUESQAONMGOX-UHFFFAOYSA-N
MW399.29 g/mol
LogP0.33
Rot. Bonds6

About 3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide

3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide (PubChem CID 60559680) has the molecular formula C16H23BrN4O3 and a molecular weight of 399.29 g/mol. Its IUPAC name is 3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
PubChem CID60559680
Molecular FormulaC16H23BrN4O3
Molecular Weight399.29 g/mol
Exact Mass398.10
IUPAC Name3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
SMILESCNC(=O)CN1CCC(NC(=O)CCn2cc(Br)ccc2=O)CC1
InChIInChI=1S/C16H23BrN4O3/c1-18-15(23)11-20-7-4-13(5-8-20)19-14(22)6-9-21-10-12(17)2-3-16(21)24/h2-3,10,13H,4-9,11H2,1H3,(H,18,23)(H,19,22)
InChIKeyBZPUESQAONMGOX-UHFFFAOYSA-N
XLogP0.33
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 47028067
2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 37340654
2-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]piperidin-1-yl]-N-methylacetamide
CID 32522403
3-(cyclopropylamino)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60866717
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]acetamide
CID 43704790
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
2-[4-[1-(3-bromophenyl)ethylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 55629444
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-phenylmethoxybutanamide
CID 49324541
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 55957752
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 32525655
2-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 103792554
N-methyl-2-[4-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 32528500

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide (CID 60559680) is 3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide is CNC(=O)CN1CCC(NC(=O)CCn2cc(Br)ccc2=O)CC1.
What is the InChIKey of 3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide?
The InChIKey is BZPUESQAONMGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4O3/c1-18-15(23)11-20-7-4-13(5-8-20)19-14(22)6-9-21-10-12(17)2-3-16(21)24/h2-3,10,13H,4-9,11H2,1H3,(H,18,23)(H,19,22).
What are the key properties of 3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide?
3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide has a molecular weight of 399.29 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-oxo-1-pyridinyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 60559680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).