2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide

C21H17N5O4 — CID 135405855

IUPAC2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cccc(C(=O)N/N=C/c2ccccc2O)n1
InChIInChI=1S/C21H17N5O4/c27-18-10-3-1-6-14(18)12-22-25-20(29)16-8-5-9-17(24-16)21(30)26-23-13-15-7-2-4-11-19(15)28/h1-13,27-28H,(H,25,29)(H,26,30)/b22-12+,23-13+
InChIKeyKEBDPIKQAMFVSI-FWSOMWAYSA-N
MW403.40 g/mol
LogP2.02
Rot. Bonds6

About 2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide

2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide (PubChem CID 135405855) has the molecular formula C21H17N5O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is 2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide
PubChem CID135405855
Molecular FormulaC21H17N5O4
Molecular Weight403.40 g/mol
Exact Mass403.13
IUPAC Name2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cccc(C(=O)N/N=C/c2ccccc2O)n1
InChIInChI=1S/C21H17N5O4/c27-18-10-3-1-6-14(18)12-22-25-20(29)16-8-5-9-17(24-16)21(30)26-23-13-15-7-2-4-11-19(15)28/h1-13,27-28H,(H,25,29)(H,26,30)/b22-12+,23-13+
InChIKeyKEBDPIKQAMFVSI-FWSOMWAYSA-N
XLogP2.02
TPSA136.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

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(Z)-N'-(1-(4-hydroxyphenyl)ethylidene)picolinohydrazide
CID 135589454
N'~2~,N'~6~-bis[(E)-(4-methoxyphenyl)methylidene]pyridine-2,6-dicarbohydrazide
CID 6862979
N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 235705
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 24965371
N'-[(1E)-(4-hydroxyphenyl)methylene]-2-phenylquinoline-4-carbohydrazide
CID 135501377
1-benzyl-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrazole-5-carboxamide
CID 135951785
N'-(5-Bromo-2-hydroxybenzylidene)-2-pyridinecarbohydrazide
CID 135588610
2-hydroxy-N'-[(1Z)-pyridin-2-ylmethylene]benzohydrazide
CID 5370915

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide (CID 135405855) is 2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide is O=C(N/N=C/c1ccccc1O)c1cccc(C(=O)N/N=C/c2ccccc2O)n1.
What is the InChIKey of 2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide?
The InChIKey is KEBDPIKQAMFVSI-FWSOMWAYSA-N. The full InChI is InChI=1S/C21H17N5O4/c27-18-10-3-1-6-14(18)12-22-25-20(29)16-8-5-9-17(24-16)21(30)26-23-13-15-7-2-4-11-19(15)28/h1-13,27-28H,(H,25,29)(H,26,30)/b22-12+,23-13+.
What are the key properties of 2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide has a molecular weight of 403.40 g/mol, XLogP of 2.02, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 135405855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).