2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide

C19H15N3O6 — CID 136863629

IUPAC2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1ccc(O)c(O)c1)c1cccc(C(=O)Nc2ccc(O)c(O)c2)n1
InChIInChI=1S/C19H15N3O6/c23-14-6-4-10(8-16(14)25)20-18(27)12-2-1-3-13(22-12)19(28)21-11-5-7-15(24)17(26)9-11/h1-9,23-26H,(H,20,27)(H,21,28)
InChIKeyYDJUXRCRRVXAEZ-UHFFFAOYSA-N
MW381.34 g/mol
LogP2.41
Rot. Bonds4

About 2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide

2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide (PubChem CID 136863629) has the molecular formula C19H15N3O6 and a molecular weight of 381.34 g/mol. Its IUPAC name is 2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide
PubChem CID136863629
Molecular FormulaC19H15N3O6
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide
SMILESO=C(Nc1ccc(O)c(O)c1)c1cccc(C(=O)Nc2ccc(O)c(O)c2)n1
InChIInChI=1S/C19H15N3O6/c23-14-6-4-10(8-16(14)25)20-18(27)12-2-1-3-13(22-12)19(28)21-11-5-7-15(24)17(26)9-11/h1-9,23-26H,(H,20,27)(H,21,28)
InChIKeyYDJUXRCRRVXAEZ-UHFFFAOYSA-N
XLogP2.41
TPSA152.01 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.34
LogP ≤ 52.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide
CID 100978561
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
N-(4-bromo-3-methylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239926
6-N-(3,4-dichlorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094177
2-N,6-N-bis(4-ethenylphenyl)pyridine-2,6-dicarboxamide
CID 156600187
2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 39042283
6-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100856
6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
6-N-(3-chlorophenyl)-2-N-(4-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100845
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094193

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide (CID 136863629) is 2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide is O=C(Nc1ccc(O)c(O)c1)c1cccc(C(=O)Nc2ccc(O)c(O)c2)n1.
What is the InChIKey of 2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is YDJUXRCRRVXAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O6/c23-14-6-4-10(8-16(14)25)20-18(27)12-2-1-3-13(22-12)19(28)21-11-5-7-15(24)17(26)9-11/h1-9,23-26H,(H,20,27)(H,21,28).
What are the key properties of 2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide?
2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 381.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(3,4-dihydroxyphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 136863629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).