10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide

C30H36N4O3 — CID 153332360

IUPAC10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESCc1cccc(CN(C)C(=O)N2CCC(O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)c1
InChIInChI=1S/C30H36N4O3/c1-23-9-8-10-24(17-23)19-32(2)28(36)33-16-15-30(37,29(20-33)13-6-7-14-29)21-34-22-31-26(18-27(34)35)25-11-4-3-5-12-25/h3-5,8-12,17-18,22,37H,6-7,13-16,19-21H2,1-2H3
InChIKeyVAIAIQCACXOMRF-UHFFFAOYSA-N
MW500.64 g/mol
LogP4.47
Rot. Bonds5

About 10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide

10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (PubChem CID 153332360) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is 10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
PubChem CID153332360
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC Name10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
SMILESCc1cccc(CN(C)C(=O)N2CCC(O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)c1
InChIInChI=1S/C30H36N4O3/c1-23-9-8-10-24(17-23)19-32(2)28(36)33-16-15-30(37,29(20-33)13-6-7-14-29)21-34-22-31-26(18-27(34)35)25-11-4-3-5-12-25/h3-5,8-12,17-18,22,37H,6-7,13-16,19-21H2,1-2H3
InChIKeyVAIAIQCACXOMRF-UHFFFAOYSA-N
XLogP4.47
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.64
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-3-ylmethyl)-10-hydroxy-N-methyl-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide
CID 155682818
10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid
CID 139369941
tert-butyl (10R)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 165141849
3-[[7-(5-azaspiro[2.5]octane-5-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146627496
3-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 139370033
3-[[7-[(2S,4S)-4-amino-2-phenylpiperidine-1-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146627595
3-(3-fluorophenyl)-4-[10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]piperazine-1-carboxylic acid
CID 139370474
6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 157339146
3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 139375447
3-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-phenylpyrimidin-4-one
CID 134218547
3-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-phenylpyrimidin-4-one
CID 134209726
N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 139375551

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of 10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide (CID 153332360) is 10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for 10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for 10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is Cc1cccc(CN(C)C(=O)N2CCC(O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)c1.
What is the InChIKey of 10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is VAIAIQCACXOMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-23-9-8-10-24(17-23)19-32(2)28(36)33-16-15-30(37,29(20-33)13-6-7-14-29)21-34-22-31-26(18-27(34)35)25-11-4-3-5-12-25/h3-5,8-12,17-18,22,37H,6-7,13-16,19-21H2,1-2H3.
What are the key properties of 10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide?
10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 500.64 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 153332360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).