4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide

C18H19ClN2O3 — CID 59637256

IUPAC4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide
SMILESCNC(=O)C(C)(C)CC(=O)c1ncc(-c2cccc(Cl)c2)cc1O
InChIInChI=1S/C18H19ClN2O3/c1-18(2,17(24)20-3)9-15(23)16-14(22)8-12(10-21-16)11-5-4-6-13(19)7-11/h4-8,10,22H,9H2,1-3H3,(H,20,24)
InChIKeyZAKJUUQFMYKYJJ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.45
Rot. Bonds5

About 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide

4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide (PubChem CID 59637256) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide
PubChem CID59637256
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide
SMILESCNC(=O)C(C)(C)CC(=O)c1ncc(-c2cccc(Cl)c2)cc1O
InChIInChI=1S/C18H19ClN2O3/c1-18(2,17(24)20-3)9-15(23)16-14(22)8-12(10-21-16)11-5-4-6-13(19)7-11/h4-8,10,22H,9H2,1-3H3,(H,20,24)
InChIKeyZAKJUUQFMYKYJJ-UHFFFAOYSA-N
XLogP3.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide with MolForge

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Related Compounds

methyl 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-2,2-dimethyl-4-oxobutanoate;methyl 4-(3-hydroxy-5-methylsulfonyloxy-2-pyridinyl)-2,2-dimethyl-4-oxobutanoate
CID 159402109
1-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]pentane-1,4-dione
CID 148501489
5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid;methylurea
CID 67212196
2-[[5-(3-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118085737
4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,N-dimethyl-4-oxobutanamide;4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoic acid
CID 161264557
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-N-methyl-4-oxobutanamide
CID 160943915
methyl 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanoate;bis(methyl 4-(3-hydroxy-5-methylsulfonyloxy-2-pyridinyl)-4-oxobutanoate)
CID 162006009
methyl 4-[3-chloro-5-(3-chlorophenyl)-2-pyridinyl]-4-oxobutanoate
CID 165046778
methyl 2-[[5-(3-chlorophenyl)-3-methylpyridine-2-carbonyl]amino]acetate
CID 155001310
methyl 2-[[5-(3-chlorophenyl)-6-deuterio-3-hydroxypyridine-2-carbonyl]amino]acetate
CID 142369403
5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 71087940
4-[5-(3-fluorophenyl)-3-hydroxy-2-pyridinyl]-4-oxobutanamide
CID 158403612

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide?
The IUPAC name of 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide (CID 59637256) is 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide.
What is the SMILES notation for 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide?
The canonical SMILES for 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide is CNC(=O)C(C)(C)CC(=O)c1ncc(-c2cccc(Cl)c2)cc1O.
What is the InChIKey of 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide?
The InChIKey is ZAKJUUQFMYKYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-18(2,17(24)20-3)9-15(23)16-14(22)8-12(10-21-16)11-5-4-6-13(19)7-11/h4-8,10,22H,9H2,1-3H3,(H,20,24).
What are the key properties of 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide?
4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide has a molecular weight of 346.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenyl)-3-hydroxy-2-pyridinyl]-N,2,2-trimethyl-4-oxobutanamide is sourced from PubChem (CID 59637256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).