2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide

C28H37N5O3 — CID 130200890

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ncccc1O)C(=O)N2CC1CCC1
InChIInChI=1S/C28H37N5O3/c1-31(2)28(22-10-4-3-5-11-22)15-13-27(14-16-28)20-32(26(36)33(27)18-21-8-6-9-21)19-24(35)30-25-23(34)12-7-17-29-25/h3-5,7,10-12,17,21,34H,6,8-9,13-16,18-20H2,1-2H3,(H,29,30,35)
InChIKeyWVQDYQPVVFNTNE-UHFFFAOYSA-N
MW491.64 g/mol
LogP4.03
Rot. Bonds7

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide (PubChem CID 130200890) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
PubChem CID130200890
Molecular FormulaC28H37N5O3
Molecular Weight491.64 g/mol
Exact Mass491.29
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ncccc1O)C(=O)N2CC1CCC1
InChIInChI=1S/C28H37N5O3/c1-31(2)28(22-10-4-3-5-11-22)15-13-27(14-16-28)20-32(26(36)33(27)18-21-8-6-9-21)19-24(35)30-25-23(34)12-7-17-29-25/h3-5,7,10-12,17,21,34H,6,8-9,13-16,18-20H2,1-2H3,(H,29,30,35)
InChIKeyWVQDYQPVVFNTNE-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-hydroxy-pyridin-2-yl)-4-cyclohexyl-benzamide
CID 135137479
N-(3-hydroxy-2-pyridinyl)-2-(4-phenylphenyl)acetamide
CID 18109409
US10807988, Example SC_3310
CID 130201016
N-(5-hydroxypyridin-2-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 135126582
US10793528, Example SC_5008
CID 130200770
N-(3-hydroxy-2-pyridinyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 25162799
US10501451, Example 10, P-1
CID 129031227
US10807989, Example SC_1028
CID 130200456
US10807989, Example SC_1046
CID 130200578
CIS-2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(5-methoxy-pyridin-2-yl)-acetamide
CID 130200588
US10807989, Example SC_1144
CID 130200597
US10807989, Example SC_1111
CID 130200713

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide (CID 130200890) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ncccc1O)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide?
The InChIKey is WVQDYQPVVFNTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O3/c1-31(2)28(22-10-4-3-5-11-22)15-13-27(14-16-28)20-32(26(36)33(27)18-21-8-6-9-21)19-24(35)30-25-23(34)12-7-17-29-25/h3-5,7,10-12,17,21,34H,6,8-9,13-16,18-20H2,1-2H3,(H,29,30,35).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide has a molecular weight of 491.64 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-hydroxy-2-pyridinyl)acetamide is sourced from PubChem (CID 130200890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).