2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C19H13F3N6O3 — CID 166487448

IUPAC2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OCc3ccn4nnnc4c3)cc2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H13F3N6O3/c20-19(21,22)16-13(8-14(17(23)29)18(30)24-16)11-1-3-12(4-2-11)31-9-10-5-6-28-15(7-10)25-26-27-28/h1-8H,9H2,(H2,23,29)(H,24,30)
InChIKeyVDNJFRGAVHADPC-UHFFFAOYSA-N
MW430.35 g/mol
LogP2.18
Rot. Bonds5

About 2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166487448) has the molecular formula C19H13F3N6O3 and a molecular weight of 430.35 g/mol. Its IUPAC name is 2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166487448
Molecular FormulaC19H13F3N6O3
Molecular Weight430.35 g/mol
Exact Mass430.10
IUPAC Name2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OCc3ccn4nnnc4c3)cc2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C19H13F3N6O3/c20-19(21,22)16-13(8-14(17(23)29)18(30)24-16)11-1-3-12(4-2-11)31-9-10-5-6-28-15(7-10)25-26-27-28/h1-8H,9H2,(H2,23,29)(H,24,30)
InChIKeyVDNJFRGAVHADPC-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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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166487448) is 2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is NC(=O)c1cc(-c2ccc(OCc3ccn4nnnc4c3)cc2)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is VDNJFRGAVHADPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O3/c20-19(21,22)16-13(8-14(17(23)29)18(30)24-16)11-1-3-12(4-2-11)31-9-10-5-6-28-15(7-10)25-26-27-28/h1-8H,9H2,(H2,23,29)(H,24,30).
What are the key properties of 2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-5-[4-(tetrazolo[1,5-a]pyridin-7-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-(tetrazolo[1,5-a]pyridin-7-ylmethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166487448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).