5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid

C22H26N4O3 — CID 156757627

IUPAC5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(=O)O)nc1)C(=O)N2
InChIInChI=1S/C22H26N4O3/c1-25(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-26(20(29)24-21)17-8-9-18(19(27)28)23-14-17/h3-9,14H,10-13,15H2,1-2H3,(H,24,29)(H,27,28)
InChIKeyNUDKZOASWSDOJS-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.08
Rot. Bonds4

About 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid

5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid (PubChem CID 156757627) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid
PubChem CID156757627
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(=O)O)nc1)C(=O)N2
InChIInChI=1S/C22H26N4O3/c1-25(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-26(20(29)24-21)17-8-9-18(19(27)28)23-14-17/h3-9,14H,10-13,15H2,1-2H3,(H,24,29)(H,27,28)
InChIKeyNUDKZOASWSDOJS-UHFFFAOYSA-N
XLogP3.08
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid (CID 156757627) is 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(=O)O)nc1)C(=O)N2.
What is the InChIKey of 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid?
The InChIKey is NUDKZOASWSDOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-25(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-26(20(29)24-21)17-8-9-18(19(27)28)23-14-17/h3-9,14H,10-13,15H2,1-2H3,(H,24,29)(H,27,28).
What are the key properties of 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid?
5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid has a molecular weight of 394.48 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 156757627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).