N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide

C19H13F6N3O3 — CID 155416976

IUPACN-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESO=C(NC1=CC(O)NC=C1)c1ccc(C(F)(F)F)cc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H13F6N3O3/c20-18(21,22)10-1-3-13(17(30)28-11-5-6-26-16(29)8-11)14(7-10)31-12-2-4-15(27-9-12)19(23,24)25/h1-9,16,26,29H,(H,28,30)
InChIKeyZTYIDJMTEWKNMH-UHFFFAOYSA-N
MW445.32 g/mol
LogP3.96
Rot. Bonds4

About N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide

N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (PubChem CID 155416976) has the molecular formula C19H13F6N3O3 and a molecular weight of 445.32 g/mol. Its IUPAC name is N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
PubChem CID155416976
Molecular FormulaC19H13F6N3O3
Molecular Weight445.32 g/mol
Exact Mass445.09
IUPAC NameN-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
SMILESO=C(NC1=CC(O)NC=C1)c1ccc(C(F)(F)F)cc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H13F6N3O3/c20-18(21,22)10-1-3-13(17(30)28-11-5-6-26-16(29)8-11)14(7-10)31-12-2-4-15(27-9-12)19(23,24)25/h1-9,16,26,29H,(H,28,30)
InChIKeyZTYIDJMTEWKNMH-UHFFFAOYSA-N
XLogP3.96
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide with MolForge

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Related Compounds

N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide
CID 90034791
4-[[4-tert-butyl-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzoyl]amino]pyridine-2-carboxamide
CID 137406845
4-[[4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzoyl]amino]benzoic acid
CID 138748534
2-(4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)benzamide
CID 152808883
2-(3-fluoro-2-methoxyphenoxy)-N-(8-oxa-2-azabicyclo[5.1.0]octa-3,5-dien-5-yl)-5-(trifluoromethyl)benzamide
CID 155416989
2-[(2-methyl-3-pyridinyl)oxy]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 90034856
2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide
CID 56980860
4-[[2-[4-(trifluoromethoxy)phenoxy]-4-(trifluoromethyl)benzoyl]amino]cyclohexa-1,5-diene-1-carboxylic acid
CID 138748533
N-(2-oxo-3,4-dihydro-1H-pyridin-4-yl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenoxy]benzamide
CID 126636503
5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide
CID 125433952
N-(2-oxo-1H-pyridin-4-yl)-2-(4-propoxyphenoxy)-5-(trifluoromethyl)benzamide
CID 78323101
2-chloro-1-[2-(trifluoromethyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]ethanone
CID 153312523

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The IUPAC name of N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide (CID 155416976) is N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is O=C(NC1=CC(O)NC=C1)c1ccc(C(F)(F)F)cc1Oc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
The InChIKey is ZTYIDJMTEWKNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3O3/c20-18(21,22)10-1-3-13(17(30)28-11-5-6-26-16(29)8-11)14(7-10)31-12-2-4-15(27-9-12)19(23,24)25/h1-9,16,26,29H,(H,28,30).
What are the key properties of N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide?
N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide has a molecular weight of 445.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1,2-dihydropyridin-4-yl)-4-(trifluoromethyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]benzamide is sourced from PubChem (CID 155416976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).