N-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide

C15H14N4O2 — CID 5401239

IUPACN-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(/C=N\NC(=O)c2ccncc2)cc1
InChIInChI=1S/C15H14N4O2/c1-11(20)18-14-4-2-12(3-5-14)10-17-19-15(21)13-6-8-16-9-7-13/h2-10H,1H3,(H,18,20)(H,19,21)/b17-10-
InChIKeyAJVLFJSIRGWTDJ-YVLHZVERSA-N
MW282.30 g/mol
LogP1.80
Rot. Bonds4

About N-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide

N-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 5401239) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID5401239
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide
SMILESCC(=O)Nc1ccc(/C=N\NC(=O)c2ccncc2)cc1
InChIInChI=1S/C15H14N4O2/c1-11(20)18-14-4-2-12(3-5-14)10-17-19-15(21)13-6-8-16-9-7-13/h2-10H,1H3,(H,18,20)(H,19,21)/b17-10-
InChIKeyAJVLFJSIRGWTDJ-YVLHZVERSA-N
XLogP1.80
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.80
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-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide (CID 5401239) is N-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide is CC(=O)Nc1ccc(/C=N\NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is AJVLFJSIRGWTDJ-YVLHZVERSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-11(20)18-14-4-2-12(3-5-14)10-17-19-15(21)13-6-8-16-9-7-13/h2-10H,1H3,(H,18,20)(H,19,21)/b17-10-.
What are the key properties of N-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide?
N-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-acetamidophenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5401239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).