3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide

C23H21N5O6 — CID 135529639

IUPAC3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
SMILESCc1nc(C)c(C(=O)N/N=C/c2ccc(O)cc2O)cc1C(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C23H21N5O6/c1-12-18(22(33)27-24-10-14-3-5-16(29)7-20(14)31)9-19(13(2)26-12)23(34)28-25-11-15-4-6-17(30)8-21(15)32/h3-11,29-32H,1-2H3,(H,27,33)(H,28,34)/b24-10+,25-11+
InChIKeyXWXONAKMQNUSDP-JTZQCBLNSA-N
MW463.45 g/mol
LogP2.05
Rot. Bonds6

About 3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide

3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide (PubChem CID 135529639) has the molecular formula C23H21N5O6 and a molecular weight of 463.45 g/mol. Its IUPAC name is 3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
PubChem CID135529639
Molecular FormulaC23H21N5O6
Molecular Weight463.45 g/mol
Exact Mass463.15
IUPAC Name3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
SMILESCc1nc(C)c(C(=O)N/N=C/c2ccc(O)cc2O)cc1C(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C23H21N5O6/c1-12-18(22(33)27-24-10-14-3-5-16(29)7-20(14)31)9-19(13(2)26-12)23(34)28-25-11-15-4-6-17(30)8-21(15)32/h3-11,29-32H,1-2H3,(H,27,33)(H,28,34)/b24-10+,25-11+
InChIKeyXWXONAKMQNUSDP-JTZQCBLNSA-N
XLogP2.05
TPSA176.73 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 52.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-(2,4-dihydroxybenzylidene)nicotinohydrazide
CID 135488764
N'-(2,4-dihydroxybenzylidene)-2-ethyl-4-quinolinecarbohydrazide
CID 135457689
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 243847
N'-(4-hydroxybenzylidene)-2,8-dimethyl-3-quinolinecarbohydrazide
CID 135401476
N'-[1-(2,4-dihydroxyphenyl)ethylidene]isonicotinohydrazide
CID 135408621
N''-[(E)-(2,3-dihydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2,5-dimethyl-1-phenyl-3-pyrrolecarbohydrazide
CID 135520062
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1-oxidopyridin-1-ium-3-carboxamide
CID 135607746
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968269
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968275
2,6-Bis(1-salicyloylhydrazonoethyl)pyridine
CID 5779747
N'~2~,N'~6~-bis(2-hydroxybenzylidene)-2,6-pyridinedicarbohydrazide
CID 135405855
N'-[(E)-(2,4-dihydroxyphenyl)methylidene]-2-phenyl-4-quinolinecarbohydrazide
CID 135841825

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide (CID 135529639) is 3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide is Cc1nc(C)c(C(=O)N/N=C/c2ccc(O)cc2O)cc1C(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of 3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
The InChIKey is XWXONAKMQNUSDP-JTZQCBLNSA-N. The full InChI is InChI=1S/C23H21N5O6/c1-12-18(22(33)27-24-10-14-3-5-16(29)7-20(14)31)9-19(13(2)26-12)23(34)28-25-11-15-4-6-17(30)8-21(15)32/h3-11,29-32H,1-2H3,(H,27,33)(H,28,34)/b24-10+,25-11+.
What are the key properties of 3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide?
3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide has a molecular weight of 463.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 135529639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).