4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide

C11H15ClN2O2 — CID 63307672

IUPAC4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
SMILESCCn1cc(NC(=O)CCCCl)ccc1=O
InChIInChI=1S/C11H15ClN2O2/c1-2-14-8-9(5-6-11(14)16)13-10(15)4-3-7-12/h5-6,8H,2-4,7H2,1H3,(H,13,15)
InChIKeyZFWPWBOKZBGXEC-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.83
Rot. Bonds5

About 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide

4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide (PubChem CID 63307672) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
PubChem CID63307672
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
SMILESCCn1cc(NC(=O)CCCCl)ccc1=O
InChIInChI=1S/C11H15ClN2O2/c1-2-14-8-9(5-6-11(14)16)13-10(15)4-3-7-12/h5-6,8H,2-4,7H2,1H3,(H,13,15)
InChIKeyZFWPWBOKZBGXEC-UHFFFAOYSA-N
XLogP1.83
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 63307515
4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 63307637
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 54862576
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
CID 112738988
6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
CID 60933349
2-anilino-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60927957
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
3-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)propane-1-sulfonamide
CID 54877695
N-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]pentanamide
CID 60596925
N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 60928332
4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
CID 63309396

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide?
The IUPAC name of 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide (CID 63307672) is 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide.
What is the SMILES notation for 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide?
The canonical SMILES for 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide is CCn1cc(NC(=O)CCCCl)ccc1=O.
What is the InChIKey of 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide?
The InChIKey is ZFWPWBOKZBGXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-14-8-9(5-6-11(14)16)13-10(15)4-3-7-12/h5-6,8H,2-4,7H2,1H3,(H,13,15).
What are the key properties of 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide?
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide has a molecular weight of 242.71 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide is sourced from PubChem (CID 63307672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).