N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide

C25H32N6O3 — CID 162458527

About N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide

N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 162458527) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide
• PubChem CID: 162458527
• Molecular Formula: C25H32N6O3
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.25
• IUPAC Name: N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide
• SMILES: CNc1cc(C(=O)NCC(O)CN2CCc3c(ccc(OCc4ccnn4C)c3C)C2)ccn1
• InChI: InChI=1S/C25H32N6O3/c1-17-22-8-11-31(14-19(22)4-5-23(17)34-16-20-7-10-29-30(20)3)15-21(32)13-28-25(33)18-6-9-27-24(12-18)26-2/h4-7,9-10,12,21,32H,8,11,13-16H2,1-3H3,(H,26,27)(H,28,33)
• InChIKey: OCJARNCKILTNSE-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 104.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide?

The IUPAC name of N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide (CID 162458527) is N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide.

What is the SMILES notation for N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide?

The canonical SMILES for N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCC(O)CN2CCc3c(ccc(OCc4ccnn4C)c3C)C2)ccn1.

What is the InChIKey of N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide?

The InChIKey is OCJARNCKILTNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-17-22-8-11-31(14-19(22)4-5-23(17)34-16-20-7-10-29-30(20)3)15-21(32)13-28-25(33)18-6-9-27-24(12-18)26-2/h4-7,9-10,12,21,32H,8,11,13-16H2,1-3H3,(H,26,27)(H,28,33).

What are the key properties of N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide?

N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-hydroxy-3-[5-methyl-6-[(2-methylpyrazol-3-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 162458527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).