5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide

C24H29N3O4 — CID 70500939

IUPAC5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide
SMILESC[C@@H](c1ccc(-c2ccc(C(=O)N(C)C)nc2)cc1)N1CC[C@]2(CC[C@@H](O)C2)OC1=O
InChIInChI=1S/C24H29N3O4/c1-16(27-13-12-24(31-23(27)30)11-10-20(28)14-24)17-4-6-18(7-5-17)19-8-9-21(25-15-19)22(29)26(2)3/h4-9,15-16,20,28H,10-14H2,1-3H3/t16-,20+,24-/m0/s1
InChIKeyGCLKTSMYGMLECP-GANZUKCXSA-N
MW423.51 g/mol
LogP3.64
Rot. Bonds4

About 5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide

5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 70500939) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID70500939
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide
SMILESC[C@@H](c1ccc(-c2ccc(C(=O)N(C)C)nc2)cc1)N1CC[C@]2(CC[C@@H](O)C2)OC1=O
InChIInChI=1S/C24H29N3O4/c1-16(27-13-12-24(31-23(27)30)11-10-20(28)14-24)17-4-6-18(7-5-17)19-8-9-21(25-15-19)22(29)26(2)3/h4-9,15-16,20,28H,10-14H2,1-3H3/t16-,20+,24-/m0/s1
InChIKeyGCLKTSMYGMLECP-GANZUKCXSA-N
XLogP3.64
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide (CID 70500939) is 5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide is C[C@@H](c1ccc(-c2ccc(C(=O)N(C)C)nc2)cc1)N1CC[C@]2(CC[C@@H](O)C2)OC1=O.
What is the InChIKey of 5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is GCLKTSMYGMLECP-GANZUKCXSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16(27-13-12-24(31-23(27)30)11-10-20(28)14-24)17-4-6-18(7-5-17)19-8-9-21(25-15-19)22(29)26(2)3/h4-9,15-16,20,28H,10-14H2,1-3H3/t16-,20+,24-/m0/s1.
What are the key properties of 5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide?
5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1S)-1-[(3R,5S)-3-hydroxy-7-oxo-6-oxa-8-azaspiro[4.5]decan-8-yl]ethyl]phenyl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 70500939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).