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

C24H23N3O2 — CID 91297497

IUPAC6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CCN(CC=Cc2ccccc2)C3)nc1
InChIInChI=1S/C24H23N3O2/c25-24(28)20-9-11-23(26-16-20)29-22-10-8-21-17-27(14-12-19(21)15-22)13-4-7-18-5-2-1-3-6-18/h1-11,15-16H,12-14,17H2,(H2,25,28)
InChIKeyZGRLYNGRMUXYPS-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.04
Rot. Bonds6

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

6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide (PubChem CID 91297497) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
PubChem CID91297497
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc3c(c2)CCN(CC=Cc2ccccc2)C3)nc1
InChIInChI=1S/C24H23N3O2/c25-24(28)20-9-11-23(26-16-20)29-22-10-8-21-17-27(14-12-19(21)15-22)13-4-7-18-5-2-1-3-6-18/h1-11,15-16H,12-14,17H2,(H2,25,28)
InChIKeyZGRLYNGRMUXYPS-UHFFFAOYSA-N
XLogP4.04
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-[[2-(3,4,4-trifluorobut-3-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide
CID 90971655
6-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]pyridine-3-carboxamide
CID 59730393
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 71560809
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
2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinoline
CID 4021995
6-[(7-oxo-6,8-dihydro-5H-naphthalen-2-yl)oxy]pyridine-3-carboxamide
CID 59750644
6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673399
6-(6-bromonaphthalen-2-yl)oxypyridine-3-carboxamide
CID 60704687
6-[(2-pentyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridine-3-carboxamide
CID 68747034
6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide
CID 52787632
6-[4-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-ylmethyl)phenoxy]pyridine-3-carboxamide
CID 59730327

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide?
The IUPAC name of 6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide (CID 91297497) is 6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CC=Cc2ccccc2)C3)nc1.
What is the InChIKey of 6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide?
The InChIKey is ZGRLYNGRMUXYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c25-24(28)20-9-11-23(26-16-20)29-22-10-8-21-17-27(14-12-19(21)15-22)13-4-7-18-5-2-1-3-6-18/h1-11,15-16H,12-14,17H2,(H2,25,28).
What are the key properties of 6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide?
6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-phenylprop-2-enyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 91297497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).