N-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide

C16H16N4O2 — CID 5339653

IUPACN-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccncc1
InChIInChI=1S/C16H16N4O2/c21-15(19-14-4-2-1-3-5-14)6-7-16(22)20-18-12-13-8-10-17-11-9-13/h1-5,8-12H,6-7H2,(H,19,21)(H,20,22)/b18-12+
InChIKeyDROBBAOUJNKWAZ-LDADJPATSA-N
MW296.33 g/mol
LogP1.95
Rot. Bonds6

About N-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide

N-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide (PubChem CID 5339653) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide.

Molecular Properties

Compound NameN-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide
PubChem CID5339653
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccncc1
InChIInChI=1S/C16H16N4O2/c21-15(19-14-4-2-1-3-5-14)6-7-16(22)20-18-12-13-8-10-17-11-9-13/h1-5,8-12H,6-7H2,(H,19,21)(H,20,22)/b18-12+
InChIKeyDROBBAOUJNKWAZ-LDADJPATSA-N
XLogP1.95
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide?
The IUPAC name of N-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide (CID 5339653) is N-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide.
What is the SMILES notation for N-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide?
The canonical SMILES for N-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide is O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccncc1.
What is the InChIKey of N-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide?
The InChIKey is DROBBAOUJNKWAZ-LDADJPATSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15(19-14-4-2-1-3-5-14)6-7-16(22)20-18-12-13-8-10-17-11-9-13/h1-5,8-12H,6-7H2,(H,19,21)(H,20,22)/b18-12+.
What are the key properties of N-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide?
N-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide has a molecular weight of 296.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-[(E)-pyridin-4-ylmethylideneamino]butanediamide is sourced from PubChem (CID 5339653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).