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

C24H31N3O3 — CID 155754382

IUPAC1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(CC2CCCC23CNCCC3O)c(=O)cc1-c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-26(2)23(30)20-15-27(22(29)13-19(20)17-7-4-3-5-8-17)14-18-9-6-11-24(18)16-25-12-10-21(24)28/h3-5,7-8,13,15,18,21,25,28H,6,9-12,14,16H2,1-2H3
InChIKeyTYIQCNNMWLDPOS-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.36
Rot. Bonds4

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

1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 155754382) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
PubChem CID155754382
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(CC2CCCC23CNCCC3O)c(=O)cc1-c1ccccc1
InChIInChI=1S/C24H31N3O3/c1-26(2)23(30)20-15-27(22(29)13-19(20)17-7-4-3-5-8-17)14-18-9-6-11-24(18)16-25-12-10-21(24)28/h3-5,7-8,13,15,18,21,25,28H,6,9-12,14,16H2,1-2H3
InChIKeyTYIQCNNMWLDPOS-UHFFFAOYSA-N
XLogP2.36
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 155754382) is 1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is CN(C)C(=O)c1cn(CC2CCCC23CNCCC3O)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
The InChIKey is TYIQCNNMWLDPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-26(2)23(30)20-15-27(22(29)13-19(20)17-7-4-3-5-8-17)14-18-9-6-11-24(18)16-25-12-10-21(24)28/h3-5,7-8,13,15,18,21,25,28H,6,9-12,14,16H2,1-2H3.
What are the key properties of 1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide?
1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(10-hydroxy-7-azaspiro[4.5]decan-4-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 155754382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).