6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide

C23H25N5OS — CID 137279839

About 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide

6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137279839) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

• Compound Name: 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide
• PubChem CID: 137279839
• Molecular Formula: C23H25N5OS
• Molecular Weight: 419.55 g/mol
• Exact Mass: 419.18
• IUPAC Name: 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide
• SMILES: CCc1ccc(-c2cc(-c3ccc(/C=C/C4CC4)cc3)[nH]c(=O)c2/C(N)=N/NN)s1
• InChI: InChI=1S/C23H25N5OS/c1-2-17-11-12-20(30-17)18-13-19(26-23(29)21(18)22(24)27-28-25)16-9-7-15(8-10-16)6-5-14-3-4-14/h5-14,28H,2-4,25H2,1H3,(H2,24,27)(H,26,29)/b6-5+
• InChIKey: MSPNUFYPCLDGIJ-AATRIKPKSA-N
• XLogP: 3.84
• TPSA: 109.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.55
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide?

The IUPAC name of 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide (CID 137279839) is 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide.

What is the SMILES notation for 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide?

The canonical SMILES for 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide is CCc1ccc(-c2cc(-c3ccc(/C=C/C4CC4)cc3)[nH]c(=O)c2/C(N)=N/NN)s1.

What is the InChIKey of 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide?

The InChIKey is MSPNUFYPCLDGIJ-AATRIKPKSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-2-17-11-12-20(30-17)18-13-19(26-23(29)21(18)22(24)27-28-25)16-9-7-15(8-10-16)6-5-14-3-4-14/h5-14,28H,2-4,25H2,1H3,(H2,24,27)(H,26,29)/b6-5+.

What are the key properties of 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide?

6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 419.55 g/mol, XLogP of 3.84, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137279839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).