4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide

C12H17ClN2O3 — CID 90624845

IUPAC4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide
SMILESO=C(CCCCl)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C12H17ClN2O3/c13-6-3-4-11(17)14-8-10(16)9-15-7-2-1-5-12(15)18/h1-2,5,7,10,16H,3-4,6,8-9H2,(H,14,17)
InChIKeyJAZSKFUJCNXANS-UHFFFAOYSA-N
MW272.73 g/mol
LogP0.34
Rot. Bonds7

About 4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide

4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide (PubChem CID 90624845) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide
PubChem CID90624845
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide
SMILESO=C(CCCCl)NCC(O)Cn1ccccc1=O
InChIInChI=1S/C12H17ClN2O3/c13-6-3-4-11(17)14-8-10(16)9-15-7-2-1-5-12(15)18/h1-2,5,7,10,16H,3-4,6,8-9H2,(H,14,17)
InChIKeyJAZSKFUJCNXANS-UHFFFAOYSA-N
XLogP0.34
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624843
N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-phenylacetamide
CID 99903624
ethyl 4-[[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]amino]-4-oxobutanoate
CID 90624842
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-pyrazol-1-ylacetamide
CID 90624986
2-(4-fluorophenoxy)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624911
(E)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]but-2-enamide
CID 90624837
2-cyclopentyl-N-[(2S)-2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 97428898
1-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-3-propan-2-ylurea
CID 90625121
2-cyclohexyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624833
2-(benzimidazol-1-yl)-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624784
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-(3-methylphenoxy)acetamide
CID 90624909
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-(3-methoxyphenoxy)acetamide
CID 90624905

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide?
The IUPAC name of 4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide (CID 90624845) is 4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide.
What is the SMILES notation for 4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide?
The canonical SMILES for 4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide is O=C(CCCCl)NCC(O)Cn1ccccc1=O.
What is the InChIKey of 4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide?
The InChIKey is JAZSKFUJCNXANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c13-6-3-4-11(17)14-8-10(16)9-15-7-2-1-5-12(15)18/h1-2,5,7,10,16H,3-4,6,8-9H2,(H,14,17).
What are the key properties of 4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide?
4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide has a molecular weight of 272.73 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]butanamide is sourced from PubChem (CID 90624845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).