4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide

C24H29BrFN3O — CID 177355964

About 4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide

4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 177355964) has the molecular formula C24H29BrFN3O and a molecular weight of 474.42 g/mol. Its IUPAC name is 4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

• Compound Name: 4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide
• PubChem CID: 177355964
• Molecular Formula: C24H29BrFN3O
• Molecular Weight: 474.42 g/mol
• Exact Mass: 473.15
• IUPAC Name: 4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide
• SMILES: C/C(=C\c1c(Br)ccnc1C)CN1CC=C(C2=CC(F)=C(C(=O)N(C)C)CC2)CC1
• InChI: InChI=1S/C24H29BrFN3O/c1-16(13-21-17(2)27-10-7-22(21)25)15-29-11-8-18(9-12-29)19-5-6-20(23(26)14-19)24(30)28(3)4/h7-8,10,13-14H,5-6,9,11-12,15H2,1-4H3/b16-13+
• InChIKey: WHWNYLNCQSHKNP-DTQAZKPQSA-N
• XLogP: 5.22
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.42
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide?

The IUPAC name of 4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide (CID 177355964) is 4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide.

What is the SMILES notation for 4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide?

The canonical SMILES for 4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide is C/C(=C\c1c(Br)ccnc1C)CN1CC=C(C2=CC(F)=C(C(=O)N(C)C)CC2)CC1.

What is the InChIKey of 4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide?

The InChIKey is WHWNYLNCQSHKNP-DTQAZKPQSA-N. The full InChI is InChI=1S/C24H29BrFN3O/c1-16(13-21-17(2)27-10-7-22(21)25)15-29-11-8-18(9-12-29)19-5-6-20(23(26)14-19)24(30)28(3)4/h7-8,10,13-14H,5-6,9,11-12,15H2,1-4H3/b16-13+.

What are the key properties of 4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide?

4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 474.42 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[(E)-3-(4-bromo-2-methyl-3-pyridinyl)-2-methylprop-2-enyl]-3,6-dihydro-2H-pyridin-4-yl]-2-fluoro-N,N-dimethylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 177355964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).