2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C20H16F3N3O3 — CID 175854981

IUPAC2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC[C@@H](Oc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C20H16F3N3O3/c1-11(13-3-2-8-25-10-13)29-14-6-4-12(5-7-14)15-9-16(18(24)27)19(28)26-17(15)20(21,22)23/h2-11H,1H3,(H2,24,27)(H,26,28)/t11-/m1/s1
InChIKeyLWSIHVNLKLXIPO-LLVKDONJSA-N
MW403.36 g/mol
LogP3.69
Rot. Bonds5

About 2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 175854981) has the molecular formula C20H16F3N3O3 and a molecular weight of 403.36 g/mol. Its IUPAC name is 2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID175854981
Molecular FormulaC20H16F3N3O3
Molecular Weight403.36 g/mol
Exact Mass403.11
IUPAC Name2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC[C@@H](Oc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C20H16F3N3O3/c1-11(13-3-2-8-25-10-13)29-14-6-4-12(5-7-14)15-9-16(18(24)27)19(28)26-17(15)20(21,22)23/h2-11H,1H3,(H2,24,27)(H,26,28)/t11-/m1/s1
InChIKeyLWSIHVNLKLXIPO-LLVKDONJSA-N
XLogP3.69
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 175854981) is 2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C[C@@H](Oc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of 2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is LWSIHVNLKLXIPO-LLVKDONJSA-N. The full InChI is InChI=1S/C20H16F3N3O3/c1-11(13-3-2-8-25-10-13)29-14-6-4-12(5-7-14)15-9-16(18(24)27)19(28)26-17(15)20(21,22)23/h2-11H,1H3,(H2,24,27)(H,26,28)/t11-/m1/s1.
What are the key properties of 2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 403.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-[4-[(1R)-1-pyridin-3-ylethoxy]phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 175854981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).