N-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide

C24H16ClF3N4O3 — CID 69398348

IUPACN-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(N2C=CCN(C(=O)c3ccccc3C(F)(F)F)C2=O)nc1
InChIInChI=1S/C24H16ClF3N4O3/c25-16-7-9-17(10-8-16)30-21(33)15-6-11-20(29-14-15)31-12-3-13-32(23(31)35)22(34)18-4-1-2-5-19(18)24(26,27)28/h1-12,14H,13H2,(H,30,33)
InChIKeyZAGLBUOFSDXLLI-UHFFFAOYSA-N
MW500.86 g/mol
LogP5.60
Rot. Bonds4

About N-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide

N-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide (PubChem CID 69398348) has the molecular formula C24H16ClF3N4O3 and a molecular weight of 500.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide
PubChem CID69398348
Molecular FormulaC24H16ClF3N4O3
Molecular Weight500.86 g/mol
Exact Mass500.09
IUPAC NameN-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccc(N2C=CCN(C(=O)c3ccccc3C(F)(F)F)C2=O)nc1
InChIInChI=1S/C24H16ClF3N4O3/c25-16-7-9-17(10-8-16)30-21(33)15-6-11-20(29-14-15)31-12-3-13-32(23(31)35)22(34)18-4-1-2-5-19(18)24(26,27)28/h1-12,14H,13H2,(H,30,33)
InChIKeyZAGLBUOFSDXLLI-UHFFFAOYSA-N
XLogP5.60
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.86
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide (CID 69398348) is N-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccc(N2C=CCN(C(=O)c3ccccc3C(F)(F)F)C2=O)nc1.
What is the InChIKey of N-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide?
The InChIKey is ZAGLBUOFSDXLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N4O3/c25-16-7-9-17(10-8-16)30-21(33)15-6-11-20(29-14-15)31-12-3-13-32(23(31)35)22(34)18-4-1-2-5-19(18)24(26,27)28/h1-12,14H,13H2,(H,30,33).
What are the key properties of N-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide?
N-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide has a molecular weight of 500.86 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[2-oxo-3-[2-(trifluoromethyl)benzoyl]-4H-pyrimidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 69398348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).