N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide

C30H25N5O — CID 26790667

About N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide

N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 26790667) has the molecular formula C30H25N5O and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide
• PubChem CID: 26790667
• Molecular Formula: C30H25N5O
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.21
• IUPAC Name: N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide
• SMILES: O=C(N/N=C\c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccncc1
• InChI: InChI=1S/C30H25N5O/c36-30(26-17-19-31-20-18-26)33-32-22-24-12-15-28(16-13-24)35-29(25-9-5-2-6-10-25)21-27(34-35)14-11-23-7-3-1-4-8-23/h1-20,22,29H,21H2,(H,33,36)/b14-11+,32-22-/t29-/m0/s1
• InChIKey: WLZZNVJPWDXDQS-QJORVSLZSA-N
• XLogP: 5.87
• TPSA: 69.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide?

The IUPAC name of N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide (CID 26790667) is N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide.

What is the SMILES notation for N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide?

The canonical SMILES for N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C\c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccncc1.

What is the InChIKey of N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide?

The InChIKey is WLZZNVJPWDXDQS-QJORVSLZSA-N. The full InChI is InChI=1S/C30H25N5O/c36-30(26-17-19-31-20-18-26)33-32-22-24-12-15-28(16-13-24)35-29(25-9-5-2-6-10-25)21-27(34-35)14-11-23-7-3-1-4-8-23/h1-20,22,29H,21H2,(H,33,36)/b14-11+,32-22-/t29-/m0/s1.

What are the key properties of N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide?

N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-[4-[(3S)-3-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydropyrazol-2-yl]phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 26790667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).