3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide

C13H19ClN2O3 — CID 63680566

IUPAC3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCOCCn1cc(NC(=O)C(C)(C)CCl)ccc1=O
InChIInChI=1S/C13H19ClN2O3/c1-13(2,9-14)12(18)15-10-4-5-11(17)16(8-10)6-7-19-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,18)
InChIKeyFJMJOLOQQBOAFM-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.70
Rot. Bonds6

About 3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide

3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 63680566) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID63680566
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCOCCn1cc(NC(=O)C(C)(C)CCl)ccc1=O
InChIInChI=1S/C13H19ClN2O3/c1-13(2,9-14)12(18)15-10-4-5-11(17)16(8-10)6-7-19-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,18)
InChIKeyFJMJOLOQQBOAFM-UHFFFAOYSA-N
XLogP1.70
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide (CID 63680566) is 3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide is COCCn1cc(NC(=O)C(C)(C)CCl)ccc1=O.
What is the InChIKey of 3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is FJMJOLOQQBOAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-13(2,9-14)12(18)15-10-4-5-11(17)16(8-10)6-7-19-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,18).
What are the key properties of 3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide?
3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 286.76 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 63680566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).