N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C25H21F3N2O3 — CID 155464709

About N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464709) has the molecular formula C25H21F3N2O3 and a molecular weight of 454.45 g/mol. Its IUPAC name is N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• PubChem CID: 155464709
• Molecular Formula: C25H21F3N2O3
• Molecular Weight: 454.45 g/mol
• Exact Mass: 454.15
• IUPAC Name: N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• SMILES: O=C(NC(c1ccccc1)c1ccc(C2=CCOCC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O
• InChI: InChI=1S/C25H21F3N2O3/c26-25(27,28)21-11-10-20(23(31)29-21)24(32)30-22(18-4-2-1-3-5-18)19-8-6-16(7-9-19)17-12-14-33-15-13-17/h1-12,22H,13-15H2,(H,29,31)(H,30,32)
• InChIKey: CTWDLPLFOUMAAT-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 71.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.45
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The IUPAC name of N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464709) is N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc(C2=CCOCC2)cc1)c1ccc(C(F)(F)F)[nH]c1=O.

What is the InChIKey of N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The InChIKey is CTWDLPLFOUMAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O3/c26-25(27,28)21-11-10-20(23(31)29-21)24(32)30-22(18-4-2-1-3-5-18)19-8-6-16(7-9-19)17-12-14-33-15-13-17/h1-12,22H,13-15H2,(H,29,31)(H,30,32).

What are the key properties of N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 454.45 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-phenylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).