N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide

C22H17N5O — CID 6899063

IUPACN-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1
InChIInChI=1S/C22H17N5O/c28-22(17-8-3-1-4-9-17)25-24-15-19-16-27(20-11-5-2-6-12-20)26-21(19)18-10-7-13-23-14-18/h1-16H,(H,25,28)/b24-15+
InChIKeyKRTLYRDUPCFLIN-BUVRLJJBSA-N
MW367.41 g/mol
LogP3.70
Rot. Bonds5

About N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide

N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide (PubChem CID 6899063) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
PubChem CID6899063
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1
InChIInChI=1S/C22H17N5O/c28-22(17-8-3-1-4-9-17)25-24-15-19-16-27(20-11-5-2-6-12-20)26-21(19)18-10-7-13-23-14-18/h1-16H,(H,25,28)/b24-15+
InChIKeyKRTLYRDUPCFLIN-BUVRLJJBSA-N
XLogP3.70
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
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'}

Analyze N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide (CID 6899063) is N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide is O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccccc1.
What is the InChIKey of N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide?
The InChIKey is KRTLYRDUPCFLIN-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H17N5O/c28-22(17-8-3-1-4-9-17)25-24-15-19-16-27(20-11-5-2-6-12-20)26-21(19)18-10-7-13-23-14-18/h1-16H,(H,25,28)/b24-15+.
What are the key properties of N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide?
N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide has a molecular weight of 367.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]benzamide is sourced from PubChem (CID 6899063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).