2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide

C24H23N3O4 — CID 9108507

IUPAC2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
SMILESCOc1cc(NC(C)=O)c(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1OC
InChIInChI=1S/C24H23N3O4/c1-16(28)26-21-15-23(31-3)22(30-2)14-20(21)24(29)27-19-9-6-7-17(13-19)10-11-18-8-4-5-12-25-18/h4-15H,1-3H3,(H,26,28)(H,27,29)/b11-10+
InChIKeyVDNYHJLCHGXHLJ-ZHACJKMWSA-N
MW417.47 g/mol
LogP4.48
Rot. Bonds7

About 2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide

2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide (PubChem CID 9108507) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide.

Molecular Properties

Compound Name2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
PubChem CID9108507
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
SMILESCOc1cc(NC(C)=O)c(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1OC
InChIInChI=1S/C24H23N3O4/c1-16(28)26-21-15-23(31-3)22(30-2)14-20(21)24(29)27-19-9-6-7-17(13-19)10-11-18-8-4-5-12-25-18/h4-15H,1-3H3,(H,26,28)(H,27,29)/b11-10+
InChIKeyVDNYHJLCHGXHLJ-ZHACJKMWSA-N
XLogP4.48
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751013
4-bromo-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide
CID 8751018
3-fluoro-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4824000
4-cyano-N-[3-(2-pyridin-2-ylethenyl)phenyl]benzamide
CID 4823960
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 24506084
N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrimidin-2-amine
CID 18093346
5-fluoro-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]-1H-indole-2-carboxamide
CID 39984636
methyl 4-[[3-[(E)-2-pyridin-2-ylethenyl]phenyl]sulfamoyl]benzoate
CID 24510150
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
3-(4-tert-butylphenyl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]propanamide
CID 18267398
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 16559091

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide?
The IUPAC name of 2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide (CID 9108507) is 2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide.
What is the SMILES notation for 2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide?
The canonical SMILES for 2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide is COc1cc(NC(C)=O)c(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1OC.
What is the InChIKey of 2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide?
The InChIKey is VDNYHJLCHGXHLJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16(28)26-21-15-23(31-3)22(30-2)14-20(21)24(29)27-19-9-6-7-17(13-19)10-11-18-8-4-5-12-25-18/h4-15H,1-3H3,(H,26,28)(H,27,29)/b11-10+.
What are the key properties of 2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide?
2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide has a molecular weight of 417.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4,5-dimethoxy-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]benzamide is sourced from PubChem (CID 9108507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).