2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide

C28H37N5O3 — CID 130200520

IUPAC2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ccncc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C28H37N5O3/c1-31(2)28(22-7-4-3-5-8-22)15-13-26(14-16-28)20-32(19-24(34)30-23-9-17-29-18-10-23)25(35)33(26)21-27(36)11-6-12-27/h3-5,7-10,17-18,36H,6,11-16,19-21H2,1-2H3,(H,29,30,34)
InChIKeyDXCPBPWXVFOBDM-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.44
Rot. Bonds7

About 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide

2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide (PubChem CID 130200520) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide
PubChem CID130200520
Molecular FormulaC28H37N5O3
Molecular Weight491.64 g/mol
Exact Mass491.29
IUPAC Name2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ccncc1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C28H37N5O3/c1-31(2)28(22-7-4-3-5-8-22)15-13-26(14-16-28)20-32(19-24(34)30-23-9-17-29-18-10-23)25(35)33(26)21-27(36)11-6-12-27/h3-5,7-10,17-18,36H,6,11-16,19-21H2,1-2H3,(H,29,30,34)
InChIKeyDXCPBPWXVFOBDM-UHFFFAOYSA-N
XLogP3.44
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide (CID 130200520) is 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ccncc1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide?
The InChIKey is DXCPBPWXVFOBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O3/c1-31(2)28(22-7-4-3-5-8-22)15-13-26(14-16-28)20-32(19-24(34)30-23-9-17-29-18-10-23)25(35)33(26)21-27(36)11-6-12-27/h3-5,7-10,17-18,36H,6,11-16,19-21H2,1-2H3,(H,29,30,34).
What are the key properties of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide?
2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide has a molecular weight of 491.64 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 130200520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).