5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

C18H13F3N4O2 — CID 122539728

IUPAC5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)nc2)c(OCc2cccnc2)cn1
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)16-4-3-12(8-25-16)13-6-14(17(22)26)24-9-15(13)27-10-11-2-1-5-23-7-11/h1-9H,10H2,(H2,22,26)
InChIKeyLDRNJCUYLYWHEW-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.24
Rot. Bonds5

About 5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 122539728) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID122539728
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)nc2)c(OCc2cccnc2)cn1
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)16-4-3-12(8-25-16)13-6-14(17(22)26)24-9-15(13)27-10-11-2-1-5-23-7-11/h1-9H,10H2,(H2,22,26)
InChIKeyLDRNJCUYLYWHEW-UHFFFAOYSA-N
XLogP3.24
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (CID 122539728) is 5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(C(F)(F)F)nc2)c(OCc2cccnc2)cn1.
What is the InChIKey of 5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is LDRNJCUYLYWHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c19-18(20,21)16-4-3-12(8-25-16)13-6-14(17(22)26)24-9-15(13)27-10-11-2-1-5-23-7-11/h1-9H,10H2,(H2,22,26).
What are the key properties of 5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 374.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethoxy)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 122539728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).