5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C20H16F3N3O4 — CID 166487120

IUPAC5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1ccnc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)c1
InChIInChI=1S/C20H16F3N3O4/c1-29-14-6-7-25-12(8-14)10-30-13-4-2-11(3-5-13)15-9-16(18(24)27)19(28)26-17(15)20(21,22)23/h2-9H,10H2,1H3,(H2,24,27)(H,26,28)
InChIKeyIQKJELYWJBRAKB-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.14
Rot. Bonds6

About 5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166487120) has the molecular formula C20H16F3N3O4 and a molecular weight of 419.36 g/mol. Its IUPAC name is 5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID166487120
Molecular FormulaC20H16F3N3O4
Molecular Weight419.36 g/mol
Exact Mass419.11
IUPAC Name5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCOc1ccnc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)c1
InChIInChI=1S/C20H16F3N3O4/c1-29-14-6-7-25-12(8-14)10-30-13-4-2-11(3-5-13)15-9-16(18(24)27)19(28)26-17(15)20(21,22)23/h2-9H,10H2,1H3,(H2,24,27)(H,26,28)
InChIKeyIQKJELYWJBRAKB-UHFFFAOYSA-N
XLogP3.14
TPSA107.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166487120) is 5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is COc1ccnc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)c1.
What is the InChIKey of 5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is IQKJELYWJBRAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4/c1-29-14-6-7-25-12(8-14)10-30-13-4-2-11(3-5-13)15-9-16(18(24)27)19(28)26-17(15)20(21,22)23/h2-9H,10H2,1H3,(H2,24,27)(H,26,28).
What are the key properties of 5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 419.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-methoxy-2-pyridinyl)methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166487120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).