6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid

C34H24Cl2N2O6 — CID 67166963

IUPAC6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N(C(=O)c2ccccc2OCc2ccccc2Cl)C(=O)c2ccccc2OCc2ccccc2Cl)nc1
InChIInChI=1S/C34H24Cl2N2O6/c35-27-13-5-1-9-23(27)20-43-29-15-7-3-11-25(29)32(39)38(31-18-17-22(19-37-31)34(41)42)33(40)26-12-4-8-16-30(26)44-21-24-10-2-6-14-28(24)36/h1-19H,20-21H2,(H,41,42)
InChIKeyGJNAPZOPEGPRFE-UHFFFAOYSA-N
MW627.48 g/mol
LogP7.73
Rot. Bonds10

About 6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid

6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 67166963) has the molecular formula C34H24Cl2N2O6 and a molecular weight of 627.48 g/mol. Its IUPAC name is 6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
PubChem CID67166963
Molecular FormulaC34H24Cl2N2O6
Molecular Weight627.48 g/mol
Exact Mass626.10
IUPAC Name6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N(C(=O)c2ccccc2OCc2ccccc2Cl)C(=O)c2ccccc2OCc2ccccc2Cl)nc1
InChIInChI=1S/C34H24Cl2N2O6/c35-27-13-5-1-9-23(27)20-43-29-15-7-3-11-25(29)32(39)38(31-18-17-22(19-37-31)34(41)42)33(40)26-12-4-8-16-30(26)44-21-24-10-2-6-14-28(24)36/h1-19H,20-21H2,(H,41,42)
InChIKeyGJNAPZOPEGPRFE-UHFFFAOYSA-N
XLogP7.73
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.48
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-2-pyridinyl)-2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]benzamide
CID 69154073
2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
2-[(2-chlorophenyl)methoxy]-N-[2-[(2-chlorophenyl)methoxy]benzoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 67166325
4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid
CID 81227840
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
4-[(2-chlorophenyl)methoxy]-3-ethoxybenzoic acid
CID 4769645
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674
5-[(2-chlorophenyl)methoxy]-2,2-dimethyl-3,4-dihydrochromene-7-carboxylic acid
CID 67482733
methyl 4-[[2-[(2-chlorophenyl)methoxy]benzoyl]-methylamino]butanoate
CID 134033396
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 23904435
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582
(2-methylphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2457678

Frequently Asked Questions

What is the IUPAC name of 6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid (CID 67166963) is 6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(N(C(=O)c2ccccc2OCc2ccccc2Cl)C(=O)c2ccccc2OCc2ccccc2Cl)nc1.
What is the InChIKey of 6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is GJNAPZOPEGPRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24Cl2N2O6/c35-27-13-5-1-9-23(27)20-43-29-15-7-3-11-25(29)32(39)38(31-18-17-22(19-37-31)34(41)42)33(40)26-12-4-8-16-30(26)44-21-24-10-2-6-14-28(24)36/h1-19H,20-21H2,(H,41,42).
What are the key properties of 6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid?
6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 627.48 g/mol, XLogP of 7.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis[2-[(2-chlorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67166963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).