N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide

C16H12FN5O — CID 135401336

IUPACN-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cn[nH]c1-c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C16H12FN5O/c17-14-3-1-11(2-4-14)15-13(9-19-21-15)10-20-22-16(23)12-5-7-18-8-6-12/h1-10H,(H,19,21)(H,22,23)/b20-10+
InChIKeyXORKAIJWZQWQGL-KEBDBYFISA-N
MW309.30 g/mol
LogP2.37
Rot. Bonds4

About N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide (PubChem CID 135401336) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
PubChem CID135401336
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC NameN-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cn[nH]c1-c1ccc(F)cc1)c1ccncc1
InChIInChI=1S/C16H12FN5O/c17-14-3-1-11(2-4-14)15-13(9-19-21-15)10-20-22-16(23)12-5-7-18-8-6-12/h1-10H,(H,19,21)(H,22,23)/b20-10+
InChIKeyXORKAIJWZQWQGL-KEBDBYFISA-N
XLogP2.37
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.37
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'}

Analyze N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide 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)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide (CID 135401336) is N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cn[nH]c1-c1ccc(F)cc1)c1ccncc1.
What is the InChIKey of N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is XORKAIJWZQWQGL-KEBDBYFISA-N. The full InChI is InChI=1S/C16H12FN5O/c17-14-3-1-11(2-4-14)15-13(9-19-21-15)10-20-22-16(23)12-5-7-18-8-6-12/h1-10H,(H,19,21)(H,22,23)/b20-10+.
What are the key properties of N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 309.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135401336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).