3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide

C20H17F3N2O4 — CID 142045894

IUPAC3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2ccc(OC3=CC(C(F)(F)F)=CCC3)cc2)c1O
InChIInChI=1S/C20H17F3N2O4/c1-28-16-9-10-24-17(18(16)26)19(27)25-13-5-7-14(8-6-13)29-15-4-2-3-12(11-15)20(21,22)23/h3,5-11,26H,2,4H2,1H3,(H,25,27)
InChIKeyJRGGKTUGKMVAKJ-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.59
Rot. Bonds5

About 3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide

3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide (PubChem CID 142045894) has the molecular formula C20H17F3N2O4 and a molecular weight of 406.36 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide
PubChem CID142045894
Molecular FormulaC20H17F3N2O4
Molecular Weight406.36 g/mol
Exact Mass406.11
IUPAC Name3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2ccc(OC3=CC(C(F)(F)F)=CCC3)cc2)c1O
InChIInChI=1S/C20H17F3N2O4/c1-28-16-9-10-24-17(18(16)26)19(27)25-13-5-7-14(8-6-13)29-15-4-2-3-12(11-15)20(21,22)23/h3,5-11,26H,2,4H2,1H3,(H,25,27)
InChIKeyJRGGKTUGKMVAKJ-UHFFFAOYSA-N
XLogP4.59
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

3-hydroxy-4-methoxy-N-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 18681912
3-hydroxy-4-methoxy-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 11244594
3-hydroxy-4-methoxy-N-[3-methyl-4-(4-methylphenoxy)phenyl]pyridine-2-carboxamide
CID 69497629
N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 129104491
3-hydroxy-4-methoxy-N-(4-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 21088857
3-hydroxy-4-methoxy-N-pyridin-2-ylpyridine-2-carboxamide
CID 21088884
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
N-[2-(4-cyanophenoxy)phenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 18682227
N-cyclobutyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088893
N-[5,7-bis(4-fluorophenoxy)-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 139337352
N-cyclohexyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088897
[4-methyl-2-[[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]-3-pyridinyl] acetate
CID 20636750

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide (CID 142045894) is 3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide is COc1ccnc(C(=O)Nc2ccc(OC3=CC(C(F)(F)F)=CCC3)cc2)c1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide?
The InChIKey is JRGGKTUGKMVAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4/c1-28-16-9-10-24-17(18(16)26)19(27)25-13-5-7-14(8-6-13)29-15-4-2-3-12(11-15)20(21,22)23/h3,5-11,26H,2,4H2,1H3,(H,25,27).
What are the key properties of 3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide?
3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide has a molecular weight of 406.36 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-[4-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxyphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 142045894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).