N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide

C16H16N2O3 — CID 24980956

IUPACN-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ncccc2O)cc1
InChIInChI=1S/C16H16N2O3/c1-11-4-6-12(7-5-11)13(19)8-9-15(21)18-16-14(20)3-2-10-17-16/h2-7,10,20H,8-9H2,1H3,(H,17,18,21)
InChIKeyAERZHWXZUUCLGL-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.70
Rot. Bonds5

About N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide

N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 24980956) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID24980956
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)Nc2ncccc2O)cc1
InChIInChI=1S/C16H16N2O3/c1-11-4-6-12(7-5-11)13(19)8-9-15(21)18-16-14(20)3-2-10-17-16/h2-7,10,20H,8-9H2,1H3,(H,17,18,21)
InChIKeyAERZHWXZUUCLGL-UHFFFAOYSA-N
XLogP2.70
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide (CID 24980956) is N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2ncccc2O)cc1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is AERZHWXZUUCLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-4-6-12(7-5-11)13(19)8-9-15(21)18-16-14(20)3-2-10-17-16/h2-7,10,20H,8-9H2,1H3,(H,17,18,21).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide?
N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 284.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 24980956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).