2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide

C23H21N5O6 — CID 135650499

IUPAC2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cccc(C(=O)N/N=C/c3ccc(O)c(OC)c3)n2)ccc1O
InChIInChI=1S/C23H21N5O6/c1-33-20-10-14(6-8-18(20)29)12-24-27-22(31)16-4-3-5-17(26-16)23(32)28-25-13-15-7-9-19(30)21(11-15)34-2/h3-13,29-30H,1-2H3,(H,27,31)(H,28,32)/b24-12+,25-13+
InChIKeyJGFIFUWSNAJYEL-DWGHPKEWSA-N
MW463.45 g/mol
LogP2.04
Rot. Bonds8

About 2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide

2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide (PubChem CID 135650499) has the molecular formula C23H21N5O6 and a molecular weight of 463.45 g/mol. Its IUPAC name is 2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide
PubChem CID135650499
Molecular FormulaC23H21N5O6
Molecular Weight463.45 g/mol
Exact Mass463.15
IUPAC Name2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cccc(C(=O)N/N=C/c3ccc(O)c(OC)c3)n2)ccc1O
InChIInChI=1S/C23H21N5O6/c1-33-20-10-14(6-8-18(20)29)12-24-27-22(31)16-4-3-5-17(26-16)23(32)28-25-13-15-7-9-19(30)21(11-15)34-2/h3-13,29-30H,1-2H3,(H,27,31)(H,28,32)/b24-12+,25-13+
InChIKeyJGFIFUWSNAJYEL-DWGHPKEWSA-N
XLogP2.04
TPSA154.73 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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'-(4'-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide (3g)
CID 135412163
N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
CID 135580822
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 6890547
N'-[(E)-(3-hydroxy-4-methoxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 6898622
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 135749819
N'~2~,N'~6~-bis[(E)-(4-methoxyphenyl)methylidene]pyridine-2,6-dicarbohydrazide
CID 6862979
3,4-dimethoxy-N'-[(1E)-1-(pyridin-2-yl)ethylidene]benzohydrazide
CID 9612114
N'-(3-ethoxy-4-hydroxybenzylidene)isonicotinohydrazide
CID 135642244
N-{2-[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxoethyl}isonicotinamide
CID 135458945
(E)-N'-(3-ethoxy-4-hydroxybenzylidene)-2-phenylquinoline-4-carbohydrazide
CID 135519152
(E)-N'-(3-hydroxy-4-methoxybenzylidene)-1H-indole-2-carbohydrazide (11)
CID 118855494
(E)-N'-(3-hydroxy-2-iodo-4-methoxybenzylidene)-1H-indole-2-carbohydrazide (14)
CID 118855496

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide (CID 135650499) is 2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide is COc1cc(/C=N/NC(=O)c2cccc(C(=O)N/N=C/c3ccc(O)c(OC)c3)n2)ccc1O.
What is the InChIKey of 2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide?
The InChIKey is JGFIFUWSNAJYEL-DWGHPKEWSA-N. The full InChI is InChI=1S/C23H21N5O6/c1-33-20-10-14(6-8-18(20)29)12-24-27-22(31)16-4-3-5-17(26-16)23(32)28-25-13-15-7-9-19(30)21(11-15)34-2/h3-13,29-30H,1-2H3,(H,27,31)(H,28,32)/b24-12+,25-13+.
What are the key properties of 2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide has a molecular weight of 463.45 g/mol, XLogP of 2.04, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 135650499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).