N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide

C15H20ClN3O3 — CID 175654933

IUPACN-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide
SMILESCC(=O)N1CCOC(c2cccc(CCNC(=O)CCl)n2)C1
InChIInChI=1S/C15H20ClN3O3/c1-11(20)19-7-8-22-14(10-19)13-4-2-3-12(18-13)5-6-17-15(21)9-16/h2-4,14H,5-10H2,1H3,(H,17,21)
InChIKeyBUGJXHYMABPRFE-UHFFFAOYSA-N
MW325.80 g/mol
LogP0.90
Rot. Bonds5

About N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide

N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide (PubChem CID 175654933) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide
PubChem CID175654933
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC NameN-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide
SMILESCC(=O)N1CCOC(c2cccc(CCNC(=O)CCl)n2)C1
InChIInChI=1S/C15H20ClN3O3/c1-11(20)19-7-8-22-14(10-19)13-4-2-3-12(18-13)5-6-17-15(21)9-16/h2-4,14H,5-10H2,1H3,(H,17,21)
InChIKeyBUGJXHYMABPRFE-UHFFFAOYSA-N
XLogP0.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-[2-methyl-6-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 95846964
N-[2-[(2S)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]acetamide
CID 125007892
1-[(2R)-2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 95847712
1-[2-[2-methyl-6-(2-pyrazin-2-ylethylamino)pyrimidin-4-yl]morpholin-4-yl]ethanone
CID 110271925
2-methyl-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 127249939
[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124976913
[(2R)-2-[6-[(2,6-difluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124990500
(1-aminocyclopentyl)-[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124962525
tert-butyl (2S)-2-(6-amino-2-pyridinyl)morpholine-4-carboxylate
CID 129322939
2-phenyl-1-[(2S)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 125005496
1-[2-(4-ethylphenyl)morpholin-4-yl]ethanone
CID 71684128
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124979682

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide?
The IUPAC name of N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide (CID 175654933) is N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide.
What is the SMILES notation for N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide?
The canonical SMILES for N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide is CC(=O)N1CCOC(c2cccc(CCNC(=O)CCl)n2)C1.
What is the InChIKey of N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide?
The InChIKey is BUGJXHYMABPRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-11(20)19-7-8-22-14(10-19)13-4-2-3-12(18-13)5-6-17-15(21)9-16/h2-4,14H,5-10H2,1H3,(H,17,21).
What are the key properties of N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide?
N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide has a molecular weight of 325.80 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-acetylmorpholin-2-yl)-2-pyridinyl]ethyl]-2-chloroacetamide is sourced from PubChem (CID 175654933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).