2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide

C20H20N2O4 — CID 121196651

IUPAC2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(-c3ccoc3)nc2)cc1OC
InChIInChI=1S/C20H20N2O4/c1-24-18-6-4-14(9-19(18)25-2)10-20(23)22-12-15-3-5-17(21-11-15)16-7-8-26-13-16/h3-9,11,13H,10,12H2,1-2H3,(H,22,23)
InChIKeyZBGDFXFKLGPCAL-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.22
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 121196651) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
PubChem CID121196651
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc(-c3ccoc3)nc2)cc1OC
InChIInChI=1S/C20H20N2O4/c1-24-18-6-4-14(9-19(18)25-2)10-20(23)22-12-15-3-5-17(21-11-15)16-7-8-26-13-16/h3-9,11,13H,10,12H2,1-2H3,(H,22,23)
InChIKeyZBGDFXFKLGPCAL-UHFFFAOYSA-N
XLogP3.22
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121196851
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
CID 121196612
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121022451
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 121196825
2-(1,2-benzoxazol-3-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 119105233
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
CID 121196604
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 121196615
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 119105213
2-(3,4-dimethoxyphenyl)-N-[(4-pyrrol-1-ylphenyl)methyl]acetamide
CID 5300696
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-(3-methylthiophen-2-yl)propanamide
CID 121196683
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]propanamide
CID 121196701

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide (CID 121196651) is 2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide is COc1ccc(CC(=O)NCc2ccc(-c3ccoc3)nc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is ZBGDFXFKLGPCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-24-18-6-4-14(9-19(18)25-2)10-20(23)22-12-15-3-5-17(21-11-15)16-7-8-26-13-16/h3-9,11,13H,10,12H2,1-2H3,(H,22,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 121196651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).