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

C32H43N5O4 — CID 130201484

IUPAC5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(=O)NCC3(O)CCC3)nc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C32H43N5O4/c1-35(2)32(24-8-4-3-5-9-24)18-16-29(17-19-32)22-36(28(39)37(29)23-31(41)14-7-15-31)25-10-11-26(33-20-25)27(38)34-21-30(40)12-6-13-30/h3-5,8-11,20,40-41H,6-7,12-19,21-23H2,1-2H3,(H,34,38)
InChIKeyOLZQZOMWVCAOKH-UHFFFAOYSA-N
MW561.73 g/mol
LogP3.65
Rot. Bonds8

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

5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide (PubChem CID 130201484) has the molecular formula C32H43N5O4 and a molecular weight of 561.73 g/mol. Its IUPAC name is 5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
PubChem CID130201484
Molecular FormulaC32H43N5O4
Molecular Weight561.73 g/mol
Exact Mass561.33
IUPAC Name5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(=O)NCC3(O)CCC3)nc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C32H43N5O4/c1-35(2)32(24-8-4-3-5-9-24)18-16-29(17-19-32)22-36(28(39)37(29)23-31(41)14-7-15-31)25-10-11-26(33-20-25)27(38)34-21-30(40)12-6-13-30/h3-5,8-11,20,40-41H,6-7,12-19,21-23H2,1-2H3,(H,34,38)
InChIKeyOLZQZOMWVCAOKH-UHFFFAOYSA-N
XLogP3.65
TPSA109.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.73
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide (CID 130201484) is 5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(=O)NCC3(O)CCC3)nc1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide?
The InChIKey is OLZQZOMWVCAOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N5O4/c1-35(2)32(24-8-4-3-5-9-24)18-16-29(17-19-32)22-36(28(39)37(29)23-31(41)14-7-15-31)25-10-11-26(33-20-25)27(38)34-21-30(40)12-6-13-30/h3-5,8-11,20,40-41H,6-7,12-19,21-23H2,1-2H3,(H,34,38).
What are the key properties of 5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide?
5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide has a molecular weight of 561.73 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 130201484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).