N-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide

C23H20FN5O — CID 126961578

IUPACN-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)N1N=C(c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C23H20FN5O/c1-16(26-27-23(30)19-11-13-25-14-12-19)29-22(18-5-3-2-4-6-18)15-21(28-29)17-7-9-20(24)10-8-17/h2-14,22H,15H2,1H3,(H,27,30)/b26-16+
InChIKeyIBRAYHGZVRBRCQ-WGOQTCKBSA-N
MW401.45 g/mol
LogP4.14
Rot. Bonds4

About N-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide

N-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide (PubChem CID 126961578) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide
PubChem CID126961578
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)N1N=C(c2ccc(F)cc2)CC1c1ccccc1
InChIInChI=1S/C23H20FN5O/c1-16(26-27-23(30)19-11-13-25-14-12-19)29-22(18-5-3-2-4-6-18)15-21(28-29)17-7-9-20(24)10-8-17/h2-14,22H,15H2,1H3,(H,27,30)/b26-16+
InChIKeyIBRAYHGZVRBRCQ-WGOQTCKBSA-N
XLogP4.14
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide (CID 126961578) is N-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)N1N=C(c2ccc(F)cc2)CC1c1ccccc1.
What is the InChIKey of N-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide?
The InChIKey is IBRAYHGZVRBRCQ-WGOQTCKBSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-16(26-27-23(30)19-11-13-25-14-12-19)29-22(18-5-3-2-4-6-18)15-21(28-29)17-7-9-20(24)10-8-17/h2-14,22H,15H2,1H3,(H,27,30)/b26-16+.
What are the key properties of N-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[5-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 126961578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).