6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide

C19H18F3N3O2 — CID 90971655

IUPAC6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCC(F)=C(F)F)C3)nc1
InChIInChI=1S/C19H18F3N3O2/c20-16(18(21)22)6-8-25-7-5-12-9-15(3-1-14(12)11-25)27-17-4-2-13(10-24-17)19(23)26/h1-4,9-10H,5-8,11H2,(H2,23,26)
InChIKeyJSSKRXXTXKGBGW-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.80
Rot. Bonds6

About 6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide

6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide (PubChem CID 90971655) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
PubChem CID90971655
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCC(F)=C(F)F)C3)nc1
InChIInChI=1S/C19H18F3N3O2/c20-16(18(21)22)6-8-25-7-5-12-9-15(3-1-14(12)11-25)27-17-4-2-13(10-24-17)19(23)26/h1-4,9-10H,5-8,11H2,(H2,23,26)
InChIKeyJSSKRXXTXKGBGW-UHFFFAOYSA-N
XLogP3.80
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide
CID 59730393
6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
CID 91297497
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 71560809
6-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)oxy]pyridine-3-carboxamide
CID 59750644
6-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)pyridine-3-carboxamide
CID 59730015
6-(2,3-dihydro-1H-isoindol-5-yloxy)pyridine-3-carboxamide
CID 59730173
6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide
CID 68747034
propan-2-yl 3-[6-[(5-carbamoyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 11315060
6-[[5-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 59750665
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756
6-[[5-(2-acetamidoethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-3-carboxamide
CID 66673417
6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673399

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide (CID 90971655) is 6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCC(F)=C(F)F)C3)nc1.
What is the InChIKey of 6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide?
The InChIKey is JSSKRXXTXKGBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-16(18(21)22)6-8-25-7-5-12-9-15(3-1-14(12)11-25)27-17-4-2-13(10-24-17)19(23)26/h1-4,9-10H,5-8,11H2,(H2,23,26).
What are the key properties of 6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide?
6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 90971655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).