4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline

C23H27FN4 — CID 143670942

IUPAC4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(C(C)(C)CC/N=C2/CCC=CN2)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C23H27FN4/c1-23(2,12-14-27-22-5-3-4-13-26-22)18-6-11-21(17(15-18)16-25)28-20-9-7-19(24)8-10-20/h4,6-11,13,15-16,25,28H,3,5,12,14H2,1-2H3,(H,26,27)/b25-16+
InChIKeyOYDRZDLZWBHQFI-PCLIKHOPSA-N
MW378.50 g/mol
LogP5.53
Rot. Bonds7

About 4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline

4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline (PubChem CID 143670942) has the molecular formula C23H27FN4 and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline.

Molecular Properties

Compound Name4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline
PubChem CID143670942
Molecular FormulaC23H27FN4
Molecular Weight378.50 g/mol
Exact Mass378.22
IUPAC Name4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(C(C)(C)CC/N=C2/CCC=CN2)ccc1Nc1ccc(F)cc1
InChIInChI=1S/C23H27FN4/c1-23(2,12-14-27-22-5-3-4-13-26-22)18-6-11-21(17(15-18)16-25)28-20-9-7-19(24)8-10-20/h4,6-11,13,15-16,25,28H,3,5,12,14H2,1-2H3,(H,26,27)/b25-16+
InChIKeyOYDRZDLZWBHQFI-PCLIKHOPSA-N
XLogP5.53
TPSA60.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline?
The IUPAC name of 4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline (CID 143670942) is 4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline.
What is the SMILES notation for 4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline?
The canonical SMILES for 4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline is [H]/N=C/c1cc(C(C)(C)CC/N=C2/CCC=CN2)ccc1Nc1ccc(F)cc1.
What is the InChIKey of 4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline?
The InChIKey is OYDRZDLZWBHQFI-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H27FN4/c1-23(2,12-14-27-22-5-3-4-13-26-22)18-6-11-21(17(15-18)16-25)28-20-9-7-19(24)8-10-20/h4,6-11,13,15-16,25,28H,3,5,12,14H2,1-2H3,(H,26,27)/b25-16+.
What are the key properties of 4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline?
4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline has a molecular weight of 378.50 g/mol, XLogP of 5.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dihydro-1H-pyridin-2-ylideneamino)-2-methylbutan-2-yl]-N-(4-fluorophenyl)-2-methanimidoylaniline is sourced from PubChem (CID 143670942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).