N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

C19H14F3N3O2S — CID 47856894

IUPACN-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cn2ccccc2=O)cc1)c1cccnc1SC(F)(F)F
InChIInChI=1S/C19H14F3N3O2S/c20-19(21,22)28-18-15(4-3-10-23-18)17(27)24-14-8-6-13(7-9-14)12-25-11-2-1-5-16(25)26/h1-11H,12H2,(H,24,27)
InChIKeyRIGSMXOJCDWGIB-UHFFFAOYSA-N
MW405.40 g/mol
LogP4.16
Rot. Bonds5

About N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide (PubChem CID 47856894) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
PubChem CID47856894
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC NameN-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cn2ccccc2=O)cc1)c1cccnc1SC(F)(F)F
InChIInChI=1S/C19H14F3N3O2S/c20-19(21,22)28-18-15(4-3-10-23-18)17(27)24-14-8-6-13(7-9-14)12-25-11-2-1-5-16(25)26/h1-11H,12H2,(H,24,27)
InChIKeyRIGSMXOJCDWGIB-UHFFFAOYSA-N
XLogP4.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide (CID 47856894) is N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide is O=C(Nc1ccc(Cn2ccccc2=O)cc1)c1cccnc1SC(F)(F)F.
What is the InChIKey of N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is RIGSMXOJCDWGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c20-19(21,22)28-18-15(4-3-10-23-18)17(27)24-14-8-6-13(7-9-14)12-25-11-2-1-5-16(25)26/h1-11H,12H2,(H,24,27).
What are the key properties of N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 405.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 47856894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).