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

C17H18N2O4 — CID 18109400

IUPAC4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ncccc2O)cc1
InChIInChI=1S/C17H18N2O4/c1-2-23-13-7-5-12(6-8-13)14(20)9-10-16(22)19-17-15(21)4-3-11-18-17/h3-8,11,21H,2,9-10H2,1H3,(H,18,19,22)
InChIKeyOHFJQBAJKGLWJF-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.79
Rot. Bonds7

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

4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide (PubChem CID 18109400) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide
PubChem CID18109400
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ncccc2O)cc1
InChIInChI=1S/C17H18N2O4/c1-2-23-13-7-5-12(6-8-13)14(20)9-10-16(22)19-17-15(21)4-3-11-18-17/h3-8,11,21H,2,9-10H2,1H3,(H,18,19,22)
InChIKeyOHFJQBAJKGLWJF-UHFFFAOYSA-N
XLogP2.79
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-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

Related Compounds

4-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11574097
3-[3-(3-Benzyloxy-pyridin-2-yl)-ureido]-benzamide
CID 11639129
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
N-(3-hydroxy-2-pyridinyl)-4-phenoxybenzamide
CID 2373623
4-ethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 803159
(3S)-4-[4-[3-[(4-methoxy-2-pyridinyl)amino]propoxy]phenyl]-3-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
CID 71550913
(2E)-1-(4-methoxyphenyl)-3-[(4-methylpyridin-2-yl)amino]prop-2-en-1-one
CID 1927485
Ethyl 3-[(3-benzyloxy-2-pyridyl)carbamoylamino]benzoate
CID 11531251
Methyl 3-[(3-benzyloxy-2-pyridyl)carbamoylamino]benzoate
CID 11559871
4-[(3-Benzyloxy-2-pyridyl)carbamoylamino]benzoic acid
CID 11588606
3-[(3-Benzyloxy-2-pyridyl)carbamoylamino]benzoic acid
CID 11617502
Ethyl 2-[(3-benzyloxy-2-pyridyl)carbamoylamino]benzoate
CID 11703833

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide (CID 18109400) is 4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)Nc2ncccc2O)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide?
The InChIKey is OHFJQBAJKGLWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-23-13-7-5-12(6-8-13)14(20)9-10-16(22)19-17-15(21)4-3-11-18-17/h3-8,11,21H,2,9-10H2,1H3,(H,18,19,22).
What are the key properties of 4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide has a molecular weight of 314.34 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-(3-hydroxy-2-pyridinyl)-4-oxobutanamide is sourced from PubChem (CID 18109400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).