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

C25H31N5OS — CID 144977578

IUPAC6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide;ethane
SMILESCC.CCc1ccc(-c2cc(-c3ccc(/C=C/C4CC4)cc3)[nH]c(=O)c2/C(N)=N/NN)s1
InChIInChI=1S/C23H25N5OS.C2H6/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;1-2/h5-14,28H,2-4,25H2,1H3,(H2,24,27)(H,26,29);1-2H3/b6-5+;
InChIKeyFSAKSUSICJMGGG-IPZCTEOASA-N
MW449.62 g/mol
LogP4.87
Rot. Bonds7

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

6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide;ethane (PubChem CID 144977578) has the molecular formula C25H31N5OS and a molecular weight of 449.62 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;ethane.

Molecular Properties

Compound Name6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide;ethane
PubChem CID144977578
Molecular FormulaC25H31N5OS
Molecular Weight449.62 g/mol
Exact Mass449.22
IUPAC Name6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide;ethane
SMILESCC.CCc1ccc(-c2cc(-c3ccc(/C=C/C4CC4)cc3)[nH]c(=O)c2/C(N)=N/NN)s1
InChIInChI=1S/C23H25N5OS.C2H6/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;1-2/h5-14,28H,2-4,25H2,1H3,(H2,24,27)(H,26,29);1-2H3/b6-5+;
InChIKeyFSAKSUSICJMGGG-IPZCTEOASA-N
XLogP4.87
TPSA109.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

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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;ethane?
The IUPAC name of 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide;ethane (CID 144977578) is 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide;ethane.
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;ethane?
The canonical SMILES for 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide;ethane is CC.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;ethane?
The InChIKey is FSAKSUSICJMGGG-IPZCTEOASA-N. The full InChI is InChI=1S/C23H25N5OS.C2H6/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;1-2/h5-14,28H,2-4,25H2,1H3,(H2,24,27)(H,26,29);1-2H3/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;ethane?
6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-N'-hydrazinyl-2-oxo-1H-pyridine-3-carboximidamide;ethane has a molecular weight of 449.62 g/mol, XLogP of 4.87, 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;ethane is sourced from PubChem (CID 144977578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).