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

C19H14F3N3O3 — CID 166487400

IUPAC2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OCc3cccnc3)cc2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H14F3N3O3/c20-19(21,22)16-14(8-15(17(23)26)18(27)25-16)12-3-5-13(6-4-12)28-10-11-2-1-7-24-9-11/h1-9H,10H2,(H2,23,26)(H,25,27)
InChIKeyYWPLSPWIBMDADN-UHFFFAOYSA-N
MW389.33 g/mol
LogP3.13
Rot. Bonds5

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

2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166487400) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166487400
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC Name2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OCc3cccnc3)cc2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H14F3N3O3/c20-19(21,22)16-14(8-15(17(23)26)18(27)25-16)12-3-5-13(6-4-12)28-10-11-2-1-7-24-9-11/h1-9H,10H2,(H2,23,26)(H,25,27)
InChIKeyYWPLSPWIBMDADN-UHFFFAOYSA-N
XLogP3.13
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.13
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-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166487400) is 2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is NC(=O)c1cc(-c2ccc(OCc3cccnc3)cc2)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is YWPLSPWIBMDADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c20-19(21,22)16-14(8-15(17(23)26)18(27)25-16)12-3-5-13(6-4-12)28-10-11-2-1-7-24-9-11/h1-9H,10H2,(H2,23,26)(H,25,27).
What are the key properties of 2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 389.33 g/mol, XLogP of 3.13, 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-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166487400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).