N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C19H21N3O3 — CID 94002797

IUPACN-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cn1
InChIInChI=1S/C19H21N3O3/c1-3-22(4-2)17-10-9-13(12-20-17)21-18(23)11-16-14-7-5-6-8-15(14)19(24)25-16/h5-10,12,16H,3-4,11H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyWQHWHGBSPOODRK-INIZCTEOSA-N
MW339.40 g/mol
LogP3.17
Rot. Bonds6

About N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 94002797) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID94002797
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cn1
InChIInChI=1S/C19H21N3O3/c1-3-22(4-2)17-10-9-13(12-20-17)21-18(23)11-16-14-7-5-6-8-15(14)19(24)25-16/h5-10,12,16H,3-4,11H2,1-2H3,(H,21,23)/t16-/m0/s1
InChIKeyWQHWHGBSPOODRK-INIZCTEOSA-N
XLogP3.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide 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-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 94002797) is N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is CCN(CC)c1ccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is WQHWHGBSPOODRK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-22(4-2)17-10-9-13(12-20-17)21-18(23)11-16-14-7-5-6-8-15(14)19(24)25-16/h5-10,12,16H,3-4,11H2,1-2H3,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 94002797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).