N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C13H10F3N3O2 — CID 51323162

IUPACN-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)8-21-11-2-1-9(7-18-11)12(20)19-10-3-5-17-6-4-10/h1-7H,8H2,(H,17,19,20)
InChIKeyWIKMJNBUEAGHBI-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.67
Rot. Bonds4

About N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 51323162) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID51323162
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC NameN-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccncc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C13H10F3N3O2/c14-13(15,16)8-21-11-2-1-9(7-18-11)12(20)19-10-3-5-17-6-4-10/h1-7H,8H2,(H,17,19,20)
InChIKeyWIKMJNBUEAGHBI-UHFFFAOYSA-N
XLogP2.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-[3-(thiophene-2-carbonylamino)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55515776
N-pyridin-2-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51322720
N-(1,3-benzodioxol-5-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 17472215
6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 134010368
N-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
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
2-methyl-2-[4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697645
N-[3-(tetrazol-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134002005
N-[4-[(3S)-pyrrolidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 67239256
N-[3-(tert-butylsulfamoyl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46698790

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 51323162) is N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(Nc1ccncc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is WIKMJNBUEAGHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c14-13(15,16)8-21-11-2-1-9(7-18-11)12(20)19-10-3-5-17-6-4-10/h1-7H,8H2,(H,17,19,20).
What are the key properties of N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 297.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 51323162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).