5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide

C32H42N4O4 — CID 170237031

About 5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide

5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide (PubChem CID 170237031) has the molecular formula C32H42N4O4 and a molecular weight of 546.71 g/mol. Its IUPAC name is 5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
• PubChem CID: 170237031
• Molecular Formula: C32H42N4O4
• Molecular Weight: 546.71 g/mol
• Exact Mass: 546.32
• IUPAC Name: 5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
• SMILES: COC1(CNC(=O)c2ccc(N3CC4(CCC(C)(c5ccccc5)CC4)N(CC4(O)CCC4)C3=O)cn2)CCC1
• InChI: InChI=1S/C32H42N4O4/c1-29(24-8-4-3-5-9-24)16-18-30(19-17-29)22-35(28(38)36(30)23-31(39)12-6-13-31)25-10-11-26(33-20-25)27(37)34-21-32(40-2)14-7-15-32/h3-5,8-11,20,39H,6-7,12-19,21-23H2,1-2H3,(H,34,37)
• InChIKey: MCTZUUBNHYGUHI-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 95.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.71
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide?

The IUPAC name of 5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide (CID 170237031) is 5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide?

The canonical SMILES for 5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide is COC1(CNC(=O)c2ccc(N3CC4(CCC(C)(c5ccccc5)CC4)N(CC4(O)CCC4)C3=O)cn2)CCC1.

What is the InChIKey of 5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide?

The InChIKey is MCTZUUBNHYGUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O4/c1-29(24-8-4-3-5-9-24)16-18-30(19-17-29)22-35(28(38)36(30)23-31(39)12-6-13-31)25-10-11-26(33-20-25)27(37)34-21-32(40-2)14-7-15-32/h3-5,8-11,20,39H,6-7,12-19,21-23H2,1-2H3,(H,34,37).

What are the key properties of 5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide?

5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide has a molecular weight of 546.71 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 170237031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).