2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H13F3N6O3 — CID 166487232

IUPAC2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OCc3cnc4nncn4c3)cc2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H13F3N6O3/c20-19(21,22)15-13(5-14(16(23)29)17(30)26-15)11-1-3-12(4-2-11)31-8-10-6-24-18-27-25-9-28(18)7-10/h1-7,9H,8H2,(H2,23,29)(H,26,30)
InChIKeyVDUQNQDUTBOIPV-UHFFFAOYSA-N
MW430.35 g/mol
LogP2.18
Rot. Bonds5

About 2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166487232) has the molecular formula C19H13F3N6O3 and a molecular weight of 430.35 g/mol. Its IUPAC name is 2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166487232
Molecular FormulaC19H13F3N6O3
Molecular Weight430.35 g/mol
Exact Mass430.10
IUPAC Name2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OCc3cnc4nncn4c3)cc2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H13F3N6O3/c20-19(21,22)15-13(5-14(16(23)29)17(30)26-15)11-1-3-12(4-2-11)31-8-10-6-24-18-27-25-9-28(18)7-10/h1-7,9H,8H2,(H2,23,29)(H,26,30)
InChIKeyVDUQNQDUTBOIPV-UHFFFAOYSA-N
XLogP2.18
TPSA128.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-oxo-5-[4-(pyridin-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487400
2-oxo-5-[4-(thiophen-3-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486981
2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487448
5-[4-[(6-methylpyrazin-2-yl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487335
2-oxo-6-(trifluoromethyl)-5-[4-[(2,4,5-trimethylpyrazol-3-yl)methoxy]phenyl]-1H-pyridine-3-carboxamide
CID 166487064
5-[4-[[2-(heptylamino)pyrimidin-5-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487375
5-[4-(2-methoxyethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166486899
5-[4-[(4-chloro-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487502
5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487120
5-[4-(oxan-4-ylmethoxy)phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487366
5-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166487006
tert-butyl 6-[[4-[5-carbamoyl-6-oxo-2-(trifluoromethyl)-1H-pyridin-3-yl]phenoxy]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 166487209

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166487232) is 2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is NC(=O)c1cc(-c2ccc(OCc3cnc4nncn4c3)cc2)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is VDUQNQDUTBOIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O3/c20-19(21,22)15-13(5-14(16(23)29)17(30)26-15)11-1-3-12(4-2-11)31-8-10-6-24-18-27-25-9-28(18)7-10/h1-7,9H,8H2,(H2,23,29)(H,26,30).
What are the key properties of 2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 430.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-[4-([1,2,4]triazolo[4,3-a]pyrimidin-6-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166487232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).