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

C19H15F3N4O2 — CID 122539709

IUPAC5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCc1ccc(COc2cnc(C(N)=O)cc2-c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C19H15F3N4O2/c1-11-2-3-12(7-24-11)10-28-16-9-25-15(18(23)27)6-14(16)13-4-5-17(26-8-13)19(20,21)22/h2-9H,10H2,1H3,(H2,23,27)
InChIKeyMAZFPGSWSDBVDZ-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.54
Rot. Bonds5

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

5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 122539709) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID122539709
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCc1ccc(COc2cnc(C(N)=O)cc2-c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C19H15F3N4O2/c1-11-2-3-12(7-24-11)10-28-16-9-25-15(18(23)27)6-14(16)13-4-5-17(26-8-13)19(20,21)22/h2-9H,10H2,1H3,(H2,23,27)
InChIKeyMAZFPGSWSDBVDZ-UHFFFAOYSA-N
XLogP3.54
TPSA90.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide (CID 122539709) is 5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is Cc1ccc(COc2cnc(C(N)=O)cc2-c2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of 5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is MAZFPGSWSDBVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-11-2-3-12(7-24-11)10-28-16-9-25-15(18(23)27)6-14(16)13-4-5-17(26-8-13)19(20,21)22/h2-9H,10H2,1H3,(H2,23,27).
What are the key properties of 5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide?
5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-3-pyridinyl)methoxy]-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 122539709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).