5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

C19H12F5N3O2 — CID 122539675

IUPAC5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)nc2)c(OCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C19H12F5N3O2/c20-12-3-10(4-13(21)5-12)9-29-16-8-26-15(18(25)28)6-14(16)11-1-2-17(27-7-11)19(22,23)24/h1-8H,9H2,(H2,25,28)
InChIKeyDLCPXMULSQOGNW-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.12
Rot. Bonds5

About 5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide

5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 122539675) has the molecular formula C19H12F5N3O2 and a molecular weight of 409.31 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID122539675
Molecular FormulaC19H12F5N3O2
Molecular Weight409.31 g/mol
Exact Mass409.08
IUPAC Name5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)nc2)c(OCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C19H12F5N3O2/c20-12-3-10(4-13(21)5-12)9-29-16-8-26-15(18(25)28)6-14(16)11-1-2-17(27-7-11)19(22,23)24/h1-8H,9H2,(H2,25,28)
InChIKeyDLCPXMULSQOGNW-UHFFFAOYSA-N
XLogP4.12
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (CID 122539675) is 5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(C(F)(F)F)nc2)c(OCc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is DLCPXMULSQOGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3O2/c20-12-3-10(4-13(21)5-12)9-29-16-8-26-15(18(25)28)6-14(16)11-1-2-17(27-7-11)19(22,23)24/h1-8H,9H2,(H2,25,28).
What are the key properties of 5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 409.31 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 122539675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).