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

C25H25N5O4 — CID 135405887

IUPAC2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide
SMILESO=C(NCC/N=C/c1ccccc1O)c1cccc(C(=O)NCC/N=C/c2ccccc2O)n1
InChIInChI=1S/C25H25N5O4/c31-22-10-3-1-6-18(22)16-26-12-14-28-24(33)20-8-5-9-21(30-20)25(34)29-15-13-27-17-19-7-2-4-11-23(19)32/h1-11,16-17,31-32H,12-15H2,(H,28,33)(H,29,34)/b26-16+,27-17+
InChIKeyFRZYHMBSATYULI-CTVDDJEBSA-N
MW459.51 g/mol
LogP2.19
Rot. Bonds10

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

2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide (PubChem CID 135405887) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide
PubChem CID135405887
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide
SMILESO=C(NCC/N=C/c1ccccc1O)c1cccc(C(=O)NCC/N=C/c2ccccc2O)n1
InChIInChI=1S/C25H25N5O4/c31-22-10-3-1-6-18(22)16-26-12-14-28-24(33)20-8-5-9-21(30-20)25(34)29-15-13-27-17-19-7-2-4-11-23(19)32/h1-11,16-17,31-32H,12-15H2,(H,28,33)(H,29,34)/b26-16+,27-17+
InChIKeyFRZYHMBSATYULI-CTVDDJEBSA-N
XLogP2.19
TPSA136.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-hydroxyethylamino)ethyliminomethyl]phenol
CID 139082337
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
cobalt;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;hydrate
CID 135442959
2-[3-[2-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]phenol
CID 5260284
2-[2-[2-[(2-nitrosophenyl)methylideneamino]ethylamino]ethyliminomethyl]phenol
CID 137241052
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;oxochromium;perchlorate
CID 135406501
methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate
CID 136719139
2-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyliminomethyl]phenol
CID 136753245
(2S)-2-hydroxy-4-[(2-hydroxyphenyl)methylideneamino]butanoic acid
CID 136694955

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide (CID 135405887) is 2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide is O=C(NCC/N=C/c1ccccc1O)c1cccc(C(=O)NCC/N=C/c2ccccc2O)n1.
What is the InChIKey of 2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide?
The InChIKey is FRZYHMBSATYULI-CTVDDJEBSA-N. The full InChI is InChI=1S/C25H25N5O4/c31-22-10-3-1-6-18(22)16-26-12-14-28-24(33)20-8-5-9-21(30-20)25(34)29-15-13-27-17-19-7-2-4-11-23(19)32/h1-11,16-17,31-32H,12-15H2,(H,28,33)(H,29,34)/b26-16+,27-17+.
What are the key properties of 2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide has a molecular weight of 459.51 g/mol, XLogP of 2.19, 10 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[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 135405887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).