N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H11F3N6O2 — CID 134002005

IUPACN-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H11F3N6O2/c16-15(17,18)8-26-13-5-4-10(7-19-13)14(25)21-11-2-1-3-12(6-11)24-9-20-22-23-24/h1-7,9H,8H2,(H,21,25)
InChIKeyMQJNRUFDRGMCQT-UHFFFAOYSA-N
MW364.29 g/mol
LogP2.25
Rot. Bonds5

About N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 134002005) has the molecular formula C15H11F3N6O2 and a molecular weight of 364.29 g/mol. Its IUPAC name is N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID134002005
Molecular FormulaC15H11F3N6O2
Molecular Weight364.29 g/mol
Exact Mass364.09
IUPAC NameN-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H11F3N6O2/c16-15(17,18)8-26-13-5-4-10(7-19-13)14(25)21-11-2-1-3-12(6-11)24-9-20-22-23-24/h1-7,9H,8H2,(H,21,25)
InChIKeyMQJNRUFDRGMCQT-UHFFFAOYSA-N
XLogP2.25
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55812153
3-(tetrazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18158615
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
N-[3-(thiophene-2-carbonylamino)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55515776
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
N-[3-(cyclopropylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 41405689
N-[3-(propylcarbamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55705978
6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46698790
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
5-hydroxy-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63860092
4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 24617889

Frequently Asked Questions

What is the IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 134002005) is N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is MQJNRUFDRGMCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O2/c16-15(17,18)8-26-13-5-4-10(7-19-13)14(25)21-11-2-1-3-12(6-11)24-9-20-22-23-24/h1-7,9H,8H2,(H,21,25).
What are the key properties of N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 364.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 134002005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).