3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide

C28H27N5O — CID 71111156

About 3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide

3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide (PubChem CID 71111156) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide
• PubChem CID: 71111156
• Molecular Formula: C28H27N5O
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.22
• IUPAC Name: 3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide
• SMILES: CNC(=O)c1nc(-c2cccc(CNC3=C4CC=C(c5ccccc5)C=C4CC3)c2)cnc1N
• InChI: InChI=1S/C28H27N5O/c1-30-28(34)26-27(29)32-17-25(33-26)22-9-5-6-18(14-22)16-31-24-13-11-21-15-20(10-12-23(21)24)19-7-3-2-4-8-19/h2-10,14-15,17,31H,11-13,16H2,1H3,(H2,29,32)(H,30,34)
• InChIKey: UWXUMZOKVBNTEW-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 92.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide (CID 71111156) is 3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc(CNC3=C4CC=C(c5ccccc5)C=C4CC3)c2)cnc1N.

What is the InChIKey of 3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide?

The InChIKey is UWXUMZOKVBNTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c1-30-28(34)26-27(29)32-17-25(33-26)22-9-5-6-18(14-22)16-31-24-13-11-21-15-20(10-12-23(21)24)19-7-3-2-4-8-19/h2-10,14-15,17,31H,11-13,16H2,1H3,(H2,29,32)(H,30,34).

What are the key properties of 3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide?

3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-methyl-6-[3-[[(5-phenyl-3,7-dihydro-2H-inden-1-yl)amino]methyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 71111156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).