2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

C19H14F3N3O3 — CID 70804901

IUPAC2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccncc1)c1cccn(Cc2cccc(OC(F)(F)F)c2)c1=O
InChIInChI=1S/C19H14F3N3O3/c20-19(21,22)28-15-4-1-3-13(11-15)12-25-10-2-5-16(18(25)27)17(26)24-14-6-8-23-9-7-14/h1-11H,12H2,(H,23,24,26)
InChIKeyXNRWSUQOCMDNTO-UHFFFAOYSA-N
MW389.33 g/mol
LogP3.44
Rot. Bonds5

About 2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 70804901) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID70804901
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC Name2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccncc1)c1cccn(Cc2cccc(OC(F)(F)F)c2)c1=O
InChIInChI=1S/C19H14F3N3O3/c20-19(21,22)28-15-4-1-3-13(11-15)12-25-10-2-5-16(18(25)27)17(26)24-14-6-8-23-9-7-14/h1-11H,12H2,(H,23,24,26)
InChIKeyXNRWSUQOCMDNTO-UHFFFAOYSA-N
XLogP3.44
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 70804901) is 2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is O=C(Nc1ccncc1)c1cccn(Cc2cccc(OC(F)(F)F)c2)c1=O.
What is the InChIKey of 2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is XNRWSUQOCMDNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c20-19(21,22)28-15-4-1-3-13(11-15)12-25-10-2-5-16(18(25)27)17(26)24-14-6-8-23-9-7-14/h1-11H,12H2,(H,23,24,26).
What are the key properties of 2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 389.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 70804901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).