1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

C28H37N3O4 — CID 134218904

IUPAC1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCCCC(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C28H37N3O4/c1-4-10-24(32)30-16-15-28(35,27(19-30)13-8-9-14-27)20-31-18-23(26(34)29(2)3)22(17-25(31)33)21-11-6-5-7-12-21/h5-7,11-12,17-18,35H,4,8-10,13-16,19-20H2,1-3H3
InChIKeyIHALSTZUKNSQSA-UHFFFAOYSA-N
MW479.62 g/mol
LogP3.54
Rot. Bonds6

About 1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide

1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 134218904) has the molecular formula C28H37N3O4 and a molecular weight of 479.62 g/mol. Its IUPAC name is 1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
PubChem CID134218904
Molecular FormulaC28H37N3O4
Molecular Weight479.62 g/mol
Exact Mass479.28
IUPAC Name1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCCCC(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C28H37N3O4/c1-4-10-24(32)30-16-15-28(35,27(19-30)13-8-9-14-27)20-31-18-23(26(34)29(2)3)22(17-25(31)33)21-11-6-5-7-12-21/h5-7,11-12,17-18,35H,4,8-10,13-16,19-20H2,1-3H3
InChIKeyIHALSTZUKNSQSA-UHFFFAOYSA-N
XLogP3.54
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

1-[[10-hydroxy-7-[(2R)-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218906
1-[[10-hydroxy-7-(4,4,4-trifluoro-3-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139346883
1-[[7-(4,4-difluoro-3-phenylbutanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139346871
1-[[10-hydroxy-7-(2-methyl-3-piperidin-1-ylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218548
1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347160
1-[[7-(2-cyclohexyloxypropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347016
1-[[7-(3-cyclobutylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
CID 146660001
10-[[5-(dimethylcarbamoyl)-2-oxo-4-thiophen-3-yl-1-pyridinyl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carboxylic acid
CID 134210300
1-[[(5S)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-9-oxa-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 166633395
1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 166989183
1-[[(10R)-7-(3-cyclobutyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
CID 139347063
1-[[(10S)-7-(3-cyclohexylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide
CID 134218798

Frequently Asked Questions

What is the IUPAC name of 1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 134218904) is 1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is CCCC(=O)N1CCC(O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of 1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The InChIKey is IHALSTZUKNSQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O4/c1-4-10-24(32)30-16-15-28(35,27(19-30)13-8-9-14-27)20-31-18-23(26(34)29(2)3)22(17-25(31)33)21-11-6-5-7-12-21/h5-7,11-12,17-18,35H,4,8-10,13-16,19-20H2,1-3H3.
What are the key properties of 1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 134218904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).