3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride

C14H20ClNO3 — CID 82525616

IUPAC3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride
SMILESCOCCCn1c(C)cc(C)c(CCC(=O)Cl)c1=O
InChIInChI=1S/C14H20ClNO3/c1-10-9-11(2)16(7-4-8-19-3)14(18)12(10)5-6-13(15)17/h9H,4-8H2,1-3H3
InChIKeyLFJXXXPXMYUFGK-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.20
Rot. Bonds7

About 3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride

3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride (PubChem CID 82525616) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride.

Molecular Properties

Compound Name3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride
PubChem CID82525616
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride
SMILESCOCCCn1c(C)cc(C)c(CCC(=O)Cl)c1=O
InChIInChI=1S/C14H20ClNO3/c1-10-9-11(2)16(7-4-8-19-3)14(18)12(10)5-6-13(15)17/h9H,4-8H2,1-3H3
InChIKeyLFJXXXPXMYUFGK-UHFFFAOYSA-N
XLogP2.20
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
CID 82525650
3-(2-hydroxypropan-2-yl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one
CID 82525632
3-(4,6-dimethyl-2-oxo-1-propan-2-yl-3-pyridinyl)propanoyl chloride
CID 82526097
1-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
CID 82525694
2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82525680
3-(ethylaminomethyl)-4,6-dimethyl-1-pentylpyridin-2-one
CID 82525846
3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid
CID 82526228
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one
CID 82525687
6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one
CID 23338585
3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carbonyl)-1-(3-methoxypropyl)-4,6-dimethylpyridin-2-one
CID 102564849
1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one
CID 82525976
4-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)butanoic acid
CID 84616792

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride?
The IUPAC name of 3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride (CID 82525616) is 3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride.
What is the SMILES notation for 3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride?
The canonical SMILES for 3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride is COCCCn1c(C)cc(C)c(CCC(=O)Cl)c1=O.
What is the InChIKey of 3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride?
The InChIKey is LFJXXXPXMYUFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-10-9-11(2)16(7-4-8-19-3)14(18)12(10)5-6-13(15)17/h9H,4-8H2,1-3H3.
What are the key properties of 3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride?
3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride has a molecular weight of 285.77 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride is sourced from PubChem (CID 82525616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).