6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid

C27H22N2O5 — CID 10161315

IUPAC6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1
InChIInChI=1S/C27H22N2O5/c30-26(29-25-12-11-21(16-28-25)27(31)32)22-13-23(33-17-19-7-3-1-4-8-19)15-24(14-22)34-18-20-9-5-2-6-10-20/h1-16H,17-18H2,(H,31,32)(H,28,29,30)
InChIKeyGDIONXWSZRJUGV-UHFFFAOYSA-N
MW454.48 g/mol
LogP5.19
Rot. Bonds9

About 6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid

6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 10161315) has the molecular formula C27H22N2O5 and a molecular weight of 454.48 g/mol. Its IUPAC name is 6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid
PubChem CID10161315
Molecular FormulaC27H22N2O5
Molecular Weight454.48 g/mol
Exact Mass454.15
IUPAC Name6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1
InChIInChI=1S/C27H22N2O5/c30-26(29-25-12-11-21(16-28-25)27(31)32)22-13-23(33-17-19-7-3-1-4-8-19)15-24(14-22)34-18-20-9-5-2-6-10-20/h1-16H,17-18H2,(H,31,32)(H,28,29,30)
InChIKeyGDIONXWSZRJUGV-UHFFFAOYSA-N
XLogP5.19
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid (CID 10161315) is 6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1.
What is the InChIKey of 6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is GDIONXWSZRJUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O5/c30-26(29-25-12-11-21(16-28-25)27(31)32)22-13-23(33-17-19-7-3-1-4-8-19)15-24(14-22)34-18-20-9-5-2-6-10-20/h1-16H,17-18H2,(H,31,32)(H,28,29,30).
What are the key properties of 6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid?
6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 454.48 g/mol, XLogP of 5.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3,5-bis(phenylmethoxy)benzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 10161315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).