N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H13F3N6O2 — CID 55720371

IUPACN-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H13F3N6O2/c17-16(18,19)8-27-13-4-3-12(7-22-13)15(26)23-6-11-2-1-5-21-14(11)25-10-20-9-24-25/h1-5,7,9-10H,6,8H2,(H,23,26)
InChIKeyCVBBMNXDERGVTI-UHFFFAOYSA-N
MW378.31 g/mol
LogP1.93
Rot. Bonds6

About N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55720371) has the molecular formula C16H13F3N6O2 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55720371
Molecular FormulaC16H13F3N6O2
Molecular Weight378.31 g/mol
Exact Mass378.11
IUPAC NameN-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H13F3N6O2/c17-16(18,19)8-27-13-4-3-12(7-22-13)15(26)23-6-11-2-1-5-21-14(11)25-10-20-9-24-25/h1-5,7,9-10H,6,8H2,(H,23,26)
InChIKeyCVBBMNXDERGVTI-UHFFFAOYSA-N
XLogP1.93
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55720371) is N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCc1cccnc1-n1cncn1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is CVBBMNXDERGVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O2/c17-16(18,19)8-27-13-4-3-12(7-22-13)15(26)23-6-11-2-1-5-21-14(11)25-10-20-9-24-25/h1-5,7,9-10H,6,8H2,(H,23,26).
What are the key properties of N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 378.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55720371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).