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

C23H29N3O3 — CID 145450484

IUPAC1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCNC(=O)c1cn(CC2(O)CCNCC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-24-21(28)19-14-26(20(27)13-18(19)17-7-3-2-4-8-17)16-23(29)11-12-25-15-22(23)9-5-6-10-22/h2-4,7-8,13-14,25,29H,5-6,9-12,15-16H2,1H3,(H,24,28)
InChIKeyIDSBHPJHWCOIGM-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.16
Rot. Bonds4

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

1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 145450484) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide
PubChem CID145450484
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide
SMILESCNC(=O)c1cn(CC2(O)CCNCC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-24-21(28)19-14-26(20(27)13-18(19)17-7-3-2-4-8-17)16-23(29)11-12-25-15-22(23)9-5-6-10-22/h2-4,7-8,13-14,25,29H,5-6,9-12,15-16H2,1H3,(H,24,28)
InChIKeyIDSBHPJHWCOIGM-UHFFFAOYSA-N
XLogP2.16
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.16
H-Bond Donors ≤ 53
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-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide?
The IUPAC name of 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide (CID 145450484) is 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide is CNC(=O)c1cn(CC2(O)CCNCC23CCCC3)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide?
The InChIKey is IDSBHPJHWCOIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-24-21(28)19-14-26(20(27)13-18(19)17-7-3-2-4-8-17)16-23(29)11-12-25-15-22(23)9-5-6-10-22/h2-4,7-8,13-14,25,29H,5-6,9-12,15-16H2,1H3,(H,24,28).
What are the key properties of 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide?
1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 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-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 145450484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).