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

C22H27N5O2 — CID 130201453

IUPAC5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)nc1)C(=O)N2
InChIInChI=1S/C22H27N5O2/c1-26(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-27(20(29)25-21)17-8-9-18(19(23)28)24-14-17/h3-9,14H,10-13,15H2,1-2H3,(H2,23,28)(H,25,29)
InChIKeyXNHXGKKFGLDBNZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.48
Rot. Bonds4

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

5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide (PubChem CID 130201453) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
PubChem CID130201453
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)nc1)C(=O)N2
InChIInChI=1S/C22H27N5O2/c1-26(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-27(20(29)25-21)17-8-9-18(19(23)28)24-14-17/h3-9,14H,10-13,15H2,1-2H3,(H2,23,28)(H,25,29)
InChIKeyXNHXGKKFGLDBNZ-UHFFFAOYSA-N
XLogP2.48
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.48
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-carboxamide?
The IUPAC name of 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide (CID 130201453) is 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=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-carboxamide?
The InChIKey is XNHXGKKFGLDBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-26(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-27(20(29)25-21)17-8-9-18(19(23)28)24-14-17/h3-9,14H,10-13,15H2,1-2H3,(H2,23,28)(H,25,29).
What are the key properties of 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide?
5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.48, 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-carboxamide is sourced from PubChem (CID 130201453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).