2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide

C19H16F3N3O3 — CID 54733951

IUPAC2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)C1=C(O)CC(Cc2ccccc2)NC1=O
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)15-7-6-12(10-23-15)24-17(27)16-14(26)9-13(25-18(16)28)8-11-4-2-1-3-5-11/h1-7,10,13,26H,8-9H2,(H,24,27)(H,25,28)
InChIKeyMOYSORPUDJFEQR-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.98
Rot. Bonds4

About 2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide

2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide (PubChem CID 54733951) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide
PubChem CID54733951
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)C1=C(O)CC(Cc2ccccc2)NC1=O
InChIInChI=1S/C19H16F3N3O3/c20-19(21,22)15-7-6-12(10-23-15)24-17(27)16-14(26)9-13(25-18(16)28)8-11-4-2-1-3-5-11/h1-7,10,13,26H,8-9H2,(H,24,27)(H,25,28)
InChIKeyMOYSORPUDJFEQR-UHFFFAOYSA-N
XLogP2.98
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of 2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide (CID 54733951) is 2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for 2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for 2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)C1=C(O)CC(Cc2ccccc2)NC1=O.
What is the InChIKey of 2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is MOYSORPUDJFEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-19(21,22)15-7-6-12(10-23-15)24-17(27)16-14(26)9-13(25-18(16)28)8-11-4-2-1-3-5-11/h1-7,10,13,26H,8-9H2,(H,24,27)(H,25,28).
What are the key properties of 2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide?
2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-hydroxy-6-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-2,3-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 54733951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).