N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide

C22H24N6O2 — CID 171444880

IUPACN-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CC3(CN(Cc4ccc5nc(C)c(=O)[nH]c5c4)C3)C2)cn1
InChIInChI=1S/C22H24N6O2/c1-14-20(29)26-19-7-15(3-5-17(19)25-14)9-27-10-22(11-27)12-28(13-22)16-4-6-18(24-8-16)21(30)23-2/h3-8H,9-13H2,1-2H3,(H,23,30)(H,26,29)
InChIKeyBGLUZKSUFFRMRS-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.31
Rot. Bonds4

About N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide

N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide (PubChem CID 171444880) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide
PubChem CID171444880
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CC3(CN(Cc4ccc5nc(C)c(=O)[nH]c5c4)C3)C2)cn1
InChIInChI=1S/C22H24N6O2/c1-14-20(29)26-19-7-15(3-5-17(19)25-14)9-27-10-22(11-27)12-28(13-22)16-4-6-18(24-8-16)21(30)23-2/h3-8H,9-13H2,1-2H3,(H,23,30)(H,26,29)
InChIKeyBGLUZKSUFFRMRS-UHFFFAOYSA-N
XLogP1.31
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide (CID 171444880) is N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CC3(CN(Cc4ccc5nc(C)c(=O)[nH]c5c4)C3)C2)cn1.
What is the InChIKey of N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide?
The InChIKey is BGLUZKSUFFRMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14-20(29)26-19-7-15(3-5-17(19)25-14)9-27-10-22(11-27)12-28(13-22)16-4-6-18(24-8-16)21(30)23-2/h3-8H,9-13H2,1-2H3,(H,23,30)(H,26,29).
What are the key properties of N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide?
N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[6-[(2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 171444880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).