N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine

C26H31FN4 — CID 143969229

About N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine

N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine (PubChem CID 143969229) has the molecular formula C26H31FN4 and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

• Compound Name: N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine
• PubChem CID: 143969229
• Molecular Formula: C26H31FN4
• Molecular Weight: 418.56 g/mol
• Exact Mass: 418.25
• IUPAC Name: N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine
• SMILES: C=C(NC1(C)C=CC(C2=C(C)CCN(c3cnccn3)C2)=CC1)C1=C(F)CCC=C1C
• InChI: InChI=1S/C26H31FN4/c1-18-10-15-31(24-16-28-13-14-29-24)17-22(18)21-8-11-26(4,12-9-21)30-20(3)25-19(2)6-5-7-23(25)27/h6,8-9,11,13-14,16,30H,3,5,7,10,12,15,17H2,1-2,4H3
• InChIKey: RULGLVKFUUVNIY-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 41.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.56
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine?

The IUPAC name of N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine (CID 143969229) is N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine.

What is the SMILES notation for N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine?

The canonical SMILES for N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine is C=C(NC1(C)C=CC(C2=C(C)CCN(c3cnccn3)C2)=CC1)C1=C(F)CCC=C1C.

What is the InChIKey of N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine?

The InChIKey is RULGLVKFUUVNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4/c1-18-10-15-31(24-16-28-13-14-29-24)17-22(18)21-8-11-26(4,12-9-21)30-20(3)25-19(2)6-5-7-23(25)27/h6,8-9,11,13-14,16,30H,3,5,7,10,12,15,17H2,1-2,4H3.

What are the key properties of N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine?

N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine has a molecular weight of 418.56 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-fluoro-6-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-methyl-4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 143969229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).