4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide

C29H25N5O2 — CID 6324440

IUPAC4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccccc2)c(C(=O)N/N=C(/C)c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C29H25N5O2/c1-20(22-12-6-3-7-13-22)31-33-28(35)26-19-30-27(18-25(26)24-16-10-5-11-17-24)29(36)34-32-21(2)23-14-8-4-9-15-23/h3-19H,1-2H3,(H,33,35)(H,34,36)/b31-20-,32-21-
InChIKeyQHYOQWWXHZBDMW-ZWWBNGGYSA-N
MW475.55 g/mol
LogP5.06
Rot. Bonds7

About 4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide

4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide (PubChem CID 6324440) has the molecular formula C29H25N5O2 and a molecular weight of 475.55 g/mol. Its IUPAC name is 4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide
PubChem CID6324440
Molecular FormulaC29H25N5O2
Molecular Weight475.55 g/mol
Exact Mass475.20
IUPAC Name4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccccc2)c(C(=O)N/N=C(/C)c2ccccc2)cn1)c1ccccc1
InChIInChI=1S/C29H25N5O2/c1-20(22-12-6-3-7-13-22)31-33-28(35)26-19-30-27(18-25(26)24-16-10-5-11-17-24)29(36)34-32-21(2)23-14-8-4-9-15-23/h3-19H,1-2H3,(H,33,35)(H,34,36)/b31-20-,32-21-
InChIKeyQHYOQWWXHZBDMW-ZWWBNGGYSA-N
XLogP5.06
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide?
The IUPAC name of 4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide (CID 6324440) is 4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide?
The canonical SMILES for 4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide is C/C(=N/NC(=O)c1cc(-c2ccccc2)c(C(=O)N/N=C(/C)c2ccccc2)cn1)c1ccccc1.
What is the InChIKey of 4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide?
The InChIKey is QHYOQWWXHZBDMW-ZWWBNGGYSA-N. The full InChI is InChI=1S/C29H25N5O2/c1-20(22-12-6-3-7-13-22)31-33-28(35)26-19-30-27(18-25(26)24-16-10-5-11-17-24)29(36)34-32-21(2)23-14-8-4-9-15-23/h3-19H,1-2H3,(H,33,35)(H,34,36)/b31-20-,32-21-.
What are the key properties of 4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide?
4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide has a molecular weight of 475.55 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-N,5-N-bis[(Z)-1-phenylethylideneamino]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 6324440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).