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

C35H47N7O5 — CID 166672403

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

2-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-piperidin-1-ylpyridine-4-carboxamide (PubChem CID 166672403) has the molecular formula C35H47N7O5 and a molecular weight of 645.81 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-piperidin-1-ylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-piperidin-1-ylpyridine-4-carboxamide
• PubChem CID: 166672403
• Molecular Formula: C35H47N7O5
• Molecular Weight: 645.81 g/mol
• Exact Mass: 645.36
• IUPAC Name: 2-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-piperidin-1-ylpyridine-4-carboxamide
• SMILES: CC(=O)N1CCC(Nc2cc(C(=O)NCC(O)CN3CCc4cc(OCc5ocnc5C)ccc4C3)cc(N3CCCCC3)n2)CC1
• InChI: InChI=1S/C35H47N7O5/c1-24-32(47-23-37-24)22-46-31-7-6-27-20-40(13-8-26(27)16-31)21-30(44)19-36-35(45)28-17-33(38-29-9-14-41(15-10-29)25(2)43)39-34(18-28)42-11-4-3-5-12-42/h6-7,16-18,23,29-30,44H,3-5,8-15,19-22H2,1-2H3,(H,36,45)(H,38,39)
• InChIKey: FHIZEIGRQBCRJC-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 136.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	645.81
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-piperidin-1-ylpyridine-4-carboxamide (CID 166672403) is 2-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-piperidin-1-ylpyridine-4-carboxamide.

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

The canonical SMILES for 2-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-piperidin-1-ylpyridine-4-carboxamide is CC(=O)N1CCC(Nc2cc(C(=O)NCC(O)CN3CCc4cc(OCc5ocnc5C)ccc4C3)cc(N3CCCCC3)n2)CC1.

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

The InChIKey is FHIZEIGRQBCRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N7O5/c1-24-32(47-23-37-24)22-46-31-7-6-27-20-40(13-8-26(27)16-31)21-30(44)19-36-35(45)28-17-33(38-29-9-14-41(15-10-29)25(2)43)39-34(18-28)42-11-4-3-5-12-42/h6-7,16-18,23,29-30,44H,3-5,8-15,19-22H2,1-2H3,(H,36,45)(H,38,39).

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

2-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-piperidin-1-ylpyridine-4-carboxamide has a molecular weight of 645.81 g/mol, XLogP of 3.52, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-piperidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 166672403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).