3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide

C22H21N3O5 — CID 990988

IUPAC3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C22H21N3O5/c1-28-17-12-14(13-18(29-2)20(17)30-3)21(26)24-16-9-5-4-8-15(16)22(27)25-19-10-6-7-11-23-19/h4-13H,1-3H3,(H,24,26)(H,23,25,27)
InChIKeyGICLFQQTPHBFDL-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.61
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide

3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 990988) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide
PubChem CID990988
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc(OC)c1OC
InChIInChI=1S/C22H21N3O5/c1-28-17-12-14(13-18(29-2)20(17)30-3)21(26)24-16-9-5-4-8-15(16)22(27)25-19-10-6-7-11-23-19/h4-13H,1-3H3,(H,24,26)(H,23,25,27)
InChIKeyGICLFQQTPHBFDL-UHFFFAOYSA-N
XLogP3.61
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide (CID 990988) is 3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide is COc1cc(C(=O)Nc2ccccc2C(=O)Nc2ccccn2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is GICLFQQTPHBFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-28-17-12-14(13-18(29-2)20(17)30-3)21(26)24-16-9-5-4-8-15(16)22(27)25-19-10-6-7-11-23-19/h4-13H,1-3H3,(H,24,26)(H,23,25,27).
What are the key properties of 3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide?
3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 407.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(pyridin-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 990988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).