bis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid

C50H41N5O6 — CID 159594640

IUPACbis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cn1.O=C(c1ccc(-c2ccccc2)cn1)N(O)Cc1ccccc1.O=C(c1ccc(-c2ccccc2)cn1)N(O)Cc1ccccc1
InChIInChI=1S/2C19H16N2O2.C12H9NO2/c2*22-19(21(23)14-15-7-3-1-4-8-15)18-12-11-17(13-20-18)16-9-5-2-6-10-16;14-12(15)11-7-6-10(8-13-11)9-4-2-1-3-5-9/h2*1-13,23H,14H2;1-8H,(H,14,15)
InChIKeyMKRIQQYFCDHNAQ-UHFFFAOYSA-N
MW807.91 g/mol
LogP10.01
Rot. Bonds10

About bis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid

bis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid (PubChem CID 159594640) has the molecular formula C50H41N5O6 and a molecular weight of 807.91 g/mol. Its IUPAC name is bis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid.

Molecular Properties

Compound Namebis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid
PubChem CID159594640
Molecular FormulaC50H41N5O6
Molecular Weight807.91 g/mol
Exact Mass807.31
IUPAC Namebis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cn1.O=C(c1ccc(-c2ccccc2)cn1)N(O)Cc1ccccc1.O=C(c1ccc(-c2ccccc2)cn1)N(O)Cc1ccccc1
InChIInChI=1S/2C19H16N2O2.C12H9NO2/c2*22-19(21(23)14-15-7-3-1-4-8-15)18-12-11-17(13-20-18)16-9-5-2-6-10-16;14-12(15)11-7-6-10(8-13-11)9-4-2-1-3-5-9/h2*1-13,23H,14H2;1-8H,(H,14,15)
InChIKeyMKRIQQYFCDHNAQ-UHFFFAOYSA-N
XLogP10.01
TPSA157.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.91
LogP ≤ 510.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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US10239838, Example 26
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Picotrin
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Frequently Asked Questions

What is the IUPAC name of bis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid?
The IUPAC name of bis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid (CID 159594640) is bis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid.
What is the SMILES notation for bis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid?
The canonical SMILES for bis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccccc2)cn1.O=C(c1ccc(-c2ccccc2)cn1)N(O)Cc1ccccc1.O=C(c1ccc(-c2ccccc2)cn1)N(O)Cc1ccccc1.
What is the InChIKey of bis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid?
The InChIKey is MKRIQQYFCDHNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16N2O2.C12H9NO2/c2*22-19(21(23)14-15-7-3-1-4-8-15)18-12-11-17(13-20-18)16-9-5-2-6-10-16;14-12(15)11-7-6-10(8-13-11)9-4-2-1-3-5-9/h2*1-13,23H,14H2;1-8H,(H,14,15).
What are the key properties of bis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid?
bis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid has a molecular weight of 807.91 g/mol, XLogP of 10.01, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-benzyl-N-hydroxy-5-phenylpyridine-2-carboxamide);5-phenylpyridine-2-carboxylic acid is sourced from PubChem (CID 159594640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).