2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide

C21H20N2O3 — CID 110634746

IUPAC2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3ccccc3)nc2)cc1OC
InChIInChI=1S/C21H20N2O3/c1-25-19-11-8-15(12-20(19)26-2)13-21(24)23-17-9-10-18(22-14-17)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyQEVOKEIUCNLQJI-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.95
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide

2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide (PubChem CID 110634746) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
PubChem CID110634746
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3ccccc3)nc2)cc1OC
InChIInChI=1S/C21H20N2O3/c1-25-19-11-8-15(12-20(19)26-2)13-21(24)23-17-9-10-18(22-14-17)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,24)
InChIKeyQEVOKEIUCNLQJI-UHFFFAOYSA-N
XLogP3.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(diethylamino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113014574
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113018440
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014017
2-(3-fluoro-4-methoxyphenyl)-N-(2-phenylpyrimidin-5-yl)acetamide
CID 86912777
2-(3,4-dimethoxyphenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010361
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 134004746
2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113015910
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide (CID 110634746) is 2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide is COc1ccc(CC(=O)Nc2ccc(-c3ccccc3)nc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide?
The InChIKey is QEVOKEIUCNLQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-25-19-11-8-15(12-20(19)26-2)13-21(24)23-17-9-10-18(22-14-17)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,23,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide has a molecular weight of 348.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide is sourced from PubChem (CID 110634746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).