N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide

C29H31N5O3 — CID 142711580

About N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 142711580) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
• PubChem CID: 142711580
• Molecular Formula: C29H31N5O3
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.24
• IUPAC Name: N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4cc[nH]c(=O)c4)c4ccccc4c3=O)CC2)c1
• InChI: InChI=1S/C29H31N5O3/c1-20(35)31-24-7-4-6-22(18-24)21-11-16-33(17-12-21)14-5-15-34-29(37)26-9-3-2-8-25(26)28(32-34)23-10-13-30-27(36)19-23/h2-4,6-10,13,18-19,21H,5,11-12,14-17H2,1H3,(H,30,36)(H,31,35)
• InChIKey: LBBKROUFZSVYHX-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 100.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The IUPAC name of N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 142711580) is N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4cc[nH]c(=O)c4)c4ccccc4c3=O)CC2)c1.

What is the InChIKey of N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The InChIKey is LBBKROUFZSVYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-20(35)31-24-7-4-6-22(18-24)21-11-16-33(17-12-21)14-5-15-34-29(37)26-9-3-2-8-25(26)28(32-34)23-10-13-30-27(36)19-23/h2-4,6-10,13,18-19,21H,5,11-12,14-17H2,1H3,(H,30,36)(H,31,35).

What are the key properties of N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide?

N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 497.60 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[3-[1-oxo-4-(2-oxo-1H-pyridin-4-yl)phthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 142711580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).