N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide

C32H42N6O5 — CID 162458088

About N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide

N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide (PubChem CID 162458088) has the molecular formula C32H42N6O5 and a molecular weight of 590.73 g/mol. Its IUPAC name is N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide
• PubChem CID: 162458088
• Molecular Formula: C32H42N6O5
• Molecular Weight: 590.73 g/mol
• Exact Mass: 590.32
• IUPAC Name: N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide
• SMILES: Cc1c(OCc2cnco2)ccc2c1CCN(CC(O)CNC(=O)c1ccnc(NC3CCN(C(=O)C(C)C)CC3)c1)C2
• InChI: InChI=1S/C32H42N6O5/c1-21(2)32(41)38-12-7-25(8-13-38)36-30-14-23(6-10-34-30)31(40)35-15-26(39)18-37-11-9-28-22(3)29(5-4-24(28)17-37)42-19-27-16-33-20-43-27/h4-6,10,14,16,20-21,25-26,39H,7-9,11-13,15,17-19H2,1-3H3,(H,34,36)(H,35,40)
• InChIKey: YJRDJGFPUYQCJP-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 133.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.73
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide?

The IUPAC name of N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide (CID 162458088) is N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide.

What is the SMILES notation for N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide?

The canonical SMILES for N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide is Cc1c(OCc2cnco2)ccc2c1CCN(CC(O)CNC(=O)c1ccnc(NC3CCN(C(=O)C(C)C)CC3)c1)C2.

What is the InChIKey of N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide?

The InChIKey is YJRDJGFPUYQCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O5/c1-21(2)32(41)38-12-7-25(8-13-38)36-30-14-23(6-10-34-30)31(40)35-15-26(39)18-37-11-9-28-22(3)29(5-4-24(28)17-37)42-19-27-16-33-20-43-27/h4-6,10,14,16,20-21,25-26,39H,7-9,11-13,15,17-19H2,1-3H3,(H,34,36)(H,35,40).

What are the key properties of N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide?

N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide has a molecular weight of 590.73 g/mol, XLogP of 3.16, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 162458088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).