N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C56H53F3N6O5 — CID 158161091

About N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 158161091) has the molecular formula C56H53F3N6O5 and a molecular weight of 947.07 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 158161091
• Molecular Formula: C56H53F3N6O5
• Molecular Weight: 947.07 g/mol
• Exact Mass: 946.40
• IUPAC Name: N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: NCC(=O)c1ccc(CN(C(=O)N2CC=C(c3ccccc3)CC2)c2ccccc2)cc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CC=C(c3ccccc3)CC2)c2ccccc2)cc1
• InChI: InChI=1S/C29H26F3N3O3.C27H27N3O2/c30-29(31,32)27(37)33-19-26(36)24-13-11-21(12-14-24)20-35(25-9-5-2-6-10-25)28(38)34-17-15-23(16-18-34)22-7-3-1-4-8-22;28-19-26(31)24-13-11-21(12-14-24)20-30(25-9-5-2-6-10-25)27(32)29-17-15-23(16-18-29)22-7-3-1-4-8-22/h1-15H,16-20H2,(H,33,37);1-15H,16-20,28H2
• InChIKey: FWGYLKSTKVJMIH-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 136.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	947.07
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The IUPAC name of N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 158161091) is N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

What is the SMILES notation for N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide is NCC(=O)c1ccc(CN(C(=O)N2CC=C(c3ccccc3)CC2)c2ccccc2)cc1.O=C(CNC(=O)C(F)(F)F)c1ccc(CN(C(=O)N2CC=C(c3ccccc3)CC2)c2ccccc2)cc1.

What is the InChIKey of N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The InChIKey is FWGYLKSTKVJMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3N3O3.C27H27N3O2/c30-29(31,32)27(37)33-19-26(36)24-13-11-21(12-14-24)20-35(25-9-5-2-6-10-25)28(38)34-17-15-23(16-18-34)22-7-3-1-4-8-22;28-19-26(31)24-13-11-21(12-14-24)20-30(25-9-5-2-6-10-25)27(32)29-17-15-23(16-18-29)22-7-3-1-4-8-22/h1-15H,16-20H2,(H,33,37);1-15H,16-20,28H2.

What are the key properties of N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 947.07 g/mol, XLogP of 10.21, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2-aminoacetyl)phenyl]methyl]-N,4-diphenyl-3,6-dihydro-2H-pyridine-1-carboxamide;N,4-diphenyl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 158161091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).