4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide

C12H17ClN2O3 — CID 63307515

IUPAC4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
SMILESCOCCn1cc(NC(=O)CCCCl)ccc1=O
InChIInChI=1S/C12H17ClN2O3/c1-18-8-7-15-9-10(4-5-12(15)17)14-11(16)3-2-6-13/h4-5,9H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyMDMGAOONNMEJGY-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.45
Rot. Bonds7

About 4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide

4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide (PubChem CID 63307515) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
PubChem CID63307515
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
SMILESCOCCn1cc(NC(=O)CCCCl)ccc1=O
InChIInChI=1S/C12H17ClN2O3/c1-18-8-7-15-9-10(4-5-12(15)17)14-11(16)3-2-6-13/h4-5,9H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyMDMGAOONNMEJGY-UHFFFAOYSA-N
XLogP1.45
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.45
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

5-hydroxy-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pentanamide
CID 79199757
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 63307637
2-(2-methoxyethylamino)-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]acetamide
CID 79281498
3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide
CID 63680566
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-3-methylbut-2-enamide
CID 113222064
2-bromo-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
CID 107903976
6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
CID 60933349
N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2-methyl-3-(methylamino)propanamide
CID 79196697
2-amino-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 43713286
2-fluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]benzamide
CID 38675455
2,2,3,3-tetrafluoro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]propanamide
CID 103776757

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide?
The IUPAC name of 4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide (CID 63307515) is 4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide.
What is the SMILES notation for 4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide?
The canonical SMILES for 4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide is COCCn1cc(NC(=O)CCCCl)ccc1=O.
What is the InChIKey of 4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide?
The InChIKey is MDMGAOONNMEJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-18-8-7-15-9-10(4-5-12(15)17)14-11(16)3-2-6-13/h4-5,9H,2-3,6-8H2,1H3,(H,14,16).
What are the key properties of 4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide?
4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide has a molecular weight of 272.73 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide is sourced from PubChem (CID 63307515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).