methyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate

C30H28N2O5 — CID 58780962

IUPACmethyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(COCc3ccccc3)cc(COCc3ccccc3)c2)nc1
InChIInChI=1S/C30H28N2O5/c1-35-30(34)26-12-13-28(31-17-26)32-29(33)27-15-24(20-36-18-22-8-4-2-5-9-22)14-25(16-27)21-37-19-23-10-6-3-7-11-23/h2-17H,18-21H2,1H3,(H,31,32,33)
InChIKeyOEVHQYTXOZWGFI-UHFFFAOYSA-N
MW496.56 g/mol
LogP5.55
Rot. Bonds11

About methyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate

methyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate (PubChem CID 58780962) has the molecular formula C30H28N2O5 and a molecular weight of 496.56 g/mol. Its IUPAC name is methyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate
PubChem CID58780962
Molecular FormulaC30H28N2O5
Molecular Weight496.56 g/mol
Exact Mass496.20
IUPAC Namemethyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(COCc3ccccc3)cc(COCc3ccccc3)c2)nc1
InChIInChI=1S/C30H28N2O5/c1-35-30(34)26-12-13-28(31-17-26)32-29(33)27-15-24(20-36-18-22-8-4-2-5-9-22)14-25(16-27)21-37-19-23-10-6-3-7-11-23/h2-17H,18-21H2,1H3,(H,31,32,33)
InChIKeyOEVHQYTXOZWGFI-UHFFFAOYSA-N
XLogP5.55
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.56
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate (CID 58780962) is methyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate is COC(=O)c1ccc(NC(=O)c2cc(COCc3ccccc3)cc(COCc3ccccc3)c2)nc1.
What is the InChIKey of methyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate?
The InChIKey is OEVHQYTXOZWGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O5/c1-35-30(34)26-12-13-28(31-17-26)32-29(33)27-15-24(20-36-18-22-8-4-2-5-9-22)14-25(16-27)21-37-19-23-10-6-3-7-11-23/h2-17H,18-21H2,1H3,(H,31,32,33).
What are the key properties of methyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate?
methyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate has a molecular weight of 496.56 g/mol, XLogP of 5.55, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[3,5-bis(phenylmethoxymethyl)benzoyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 58780962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).