2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline

C24H24FN3O — CID 89347803

IUPAC2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline
SMILESC=C(Nc1c(OC)cc(-c2ccc(F)cc2)cc1/C(C)=N/CC)c1cccnc1
InChIInChI=1S/C24H24FN3O/c1-5-27-17(3)22-13-20(18-8-10-21(25)11-9-18)14-23(29-4)24(22)28-16(2)19-7-6-12-26-15-19/h6-15,28H,2,5H2,1,3-4H3/b27-17+
InChIKeyCPJHPTSETLFYDX-WPWMEQJKSA-N
MW389.47 g/mol
LogP5.81
Rot. Bonds7

About 2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline

2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline (PubChem CID 89347803) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline.

Molecular Properties

Compound Name2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline
PubChem CID89347803
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline
SMILESC=C(Nc1c(OC)cc(-c2ccc(F)cc2)cc1/C(C)=N/CC)c1cccnc1
InChIInChI=1S/C24H24FN3O/c1-5-27-17(3)22-13-20(18-8-10-21(25)11-9-18)14-23(29-4)24(22)28-16(2)19-7-6-12-26-15-19/h6-15,28H,2,5H2,1,3-4H3/b27-17+
InChIKeyCPJHPTSETLFYDX-WPWMEQJKSA-N
XLogP5.81
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline?
The IUPAC name of 2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline (CID 89347803) is 2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline.
What is the SMILES notation for 2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline?
The canonical SMILES for 2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline is C=C(Nc1c(OC)cc(-c2ccc(F)cc2)cc1/C(C)=N/CC)c1cccnc1.
What is the InChIKey of 2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline?
The InChIKey is CPJHPTSETLFYDX-WPWMEQJKSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-5-27-17(3)22-13-20(18-8-10-21(25)11-9-18)14-23(29-4)24(22)28-16(2)19-7-6-12-26-15-19/h6-15,28H,2,5H2,1,3-4H3/b27-17+.
What are the key properties of 2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline?
2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline has a molecular weight of 389.47 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-C-methylcarbonimidoyl)-4-(4-fluorophenyl)-6-methoxy-N-(1-pyridin-3-ylethenyl)aniline is sourced from PubChem (CID 89347803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).