3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine

C56H73F3N15O4+ — CID 161077253

About 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine

3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine (PubChem CID 161077253) has the molecular formula C56H73F3N15O4+ and a molecular weight of 1077.29 g/mol. Its IUPAC name is 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine.

Molecular Properties

• Compound Name: 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine
• PubChem CID: 161077253
• Molecular Formula: C56H73F3N15O4+
• Molecular Weight: 1077.29 g/mol
• Exact Mass: 1076.59
• IUPAC Name: 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine
• SMILES: CN1CCCC(CN)(c2cccc(F)c2)CC1.CN1CCCC(CNC(=O)c2nccnc2N)(c2cccc(F)c2)CC1.Nc1nccnc1C(=O)NCC1(c2cccc(F)c2)CCCNCC1.Nc1nccnc1C(=O)[OH2+]
• InChI: InChI=1S/C19H24FN5O.C18H22FN5O.C14H21FN2.C5H5N3O2/c1-25-10-3-6-19(7-11-25,14-4-2-5-15(20)12-14)13-24-18(26)16-17(21)23-9-8-22-16;19-14-4-1-3-13(11-14)18(5-2-7-21-8-6-18)12-24-17(25)15-16(20)23-10-9-22-15;1-17-8-3-6-14(11-16,7-9-17)12-4-2-5-13(15)10-12;6-4-3(5(9)10)7-1-2-8-4/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H2,21,23)(H,24,26);1,3-4,9-11,21H,2,5-8,12H2,(H2,20,23)(H,24,25);2,4-5,10H,3,6-9,11,16H2,1H3;1-2H,(H2,6,8)(H,9,10)/p+1
• InChIKey: UFLAUTRCLPWRMG-UHFFFAOYSA-O
• XLogP: 4.68
• TPSA: 298.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1077.29
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine?

The IUPAC name of 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine (CID 161077253) is 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine.

What is the SMILES notation for 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine?

The canonical SMILES for 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine is CN1CCCC(CN)(c2cccc(F)c2)CC1.CN1CCCC(CNC(=O)c2nccnc2N)(c2cccc(F)c2)CC1.Nc1nccnc1C(=O)NCC1(c2cccc(F)c2)CCCNCC1.Nc1nccnc1C(=O)[OH2+].

What is the InChIKey of 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine?

The InChIKey is UFLAUTRCLPWRMG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24FN5O.C18H22FN5O.C14H21FN2.C5H5N3O2/c1-25-10-3-6-19(7-11-25,14-4-2-5-15(20)12-14)13-24-18(26)16-17(21)23-9-8-22-16;19-14-4-1-3-13(11-14)18(5-2-7-21-8-6-18)12-24-17(25)15-16(20)23-10-9-22-15;1-17-8-3-6-14(11-16,7-9-17)12-4-2-5-13(15)10-12;6-4-3(5(9)10)7-1-2-8-4/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H2,21,23)(H,24,26);1,3-4,9-11,21H,2,5-8,12H2,(H2,20,23)(H,24,25);2,4-5,10H,3,6-9,11,16H2,1H3;1-2H,(H2,6,8)(H,9,10)/p+1.

What are the key properties of 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine?

3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine has a molecular weight of 1077.29 g/mol, XLogP of 4.68, 11 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[4-(3-fluorophenyl)azepan-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[[4-(3-fluorophenyl)-1-methylazepan-4-yl]methyl]pyrazine-2-carboxamide;(3-aminopyrazine-2-carbonyl)oxidanium;[4-(3-fluorophenyl)-1-methylazepan-4-yl]methanamine is sourced from PubChem (CID 161077253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).