N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide

C14H20BrN3O3 — CID 164559863

IUPACN-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Br)cn(CCCN2CCOCC2)c1=O
InChIInChI=1S/C14H20BrN3O3/c1-11(19)16-13-9-12(15)10-18(14(13)20)4-2-3-17-5-7-21-8-6-17/h9-10H,2-8H2,1H3,(H,16,19)
InChIKeyFHVVJLCHCAPOJD-UHFFFAOYSA-N
MW358.24 g/mol
LogP1.29
Rot. Bonds5

About N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide

N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide (PubChem CID 164559863) has the molecular formula C14H20BrN3O3 and a molecular weight of 358.24 g/mol. Its IUPAC name is N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide
PubChem CID164559863
Molecular FormulaC14H20BrN3O3
Molecular Weight358.24 g/mol
Exact Mass357.07
IUPAC NameN-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Br)cn(CCCN2CCOCC2)c1=O
InChIInChI=1S/C14H20BrN3O3/c1-11(19)16-13-9-12(15)10-18(14(13)20)4-2-3-17-5-7-21-8-6-17/h9-10H,2-8H2,1H3,(H,16,19)
InChIKeyFHVVJLCHCAPOJD-UHFFFAOYSA-N
XLogP1.29
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide?
The IUPAC name of N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide (CID 164559863) is N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide is CC(=O)Nc1cc(Br)cn(CCCN2CCOCC2)c1=O.
What is the InChIKey of N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide?
The InChIKey is FHVVJLCHCAPOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3/c1-11(19)16-13-9-12(15)10-18(14(13)20)4-2-3-17-5-7-21-8-6-17/h9-10H,2-8H2,1H3,(H,16,19).
What are the key properties of N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide?
N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide has a molecular weight of 358.24 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-1-(3-morpholin-4-ylpropyl)-2-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 164559863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).