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

C23H26N6O2 — CID 171445036

IUPAC5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1nc2ccc(CN3CC4(C3)CN(c3ccc(C(=O)NC)nc3)C4)cc2[nH]c1=O
InChIInChI=1S/C23H26N6O2/c1-3-17-22(31)27-20-8-15(4-6-18(20)26-17)10-28-11-23(12-28)13-29(14-23)16-5-7-19(25-9-16)21(30)24-2/h4-9H,3,10-14H2,1-2H3,(H,24,30)(H,27,31)
InChIKeyIDTJBEVXKXNTLD-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.56
Rot. Bonds5

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

5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 171445036) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide
PubChem CID171445036
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1nc2ccc(CN3CC4(C3)CN(c3ccc(C(=O)NC)nc3)C4)cc2[nH]c1=O
InChIInChI=1S/C23H26N6O2/c1-3-17-22(31)27-20-8-15(4-6-18(20)26-17)10-28-11-23(12-28)13-29(14-23)16-5-7-19(25-9-16)21(30)24-2/h4-9H,3,10-14H2,1-2H3,(H,24,30)(H,27,31)
InChIKeyIDTJBEVXKXNTLD-UHFFFAOYSA-N
XLogP1.56
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

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
N-methyl-5-[4-[[3-oxo-2-(2,2,2-trifluoroethyl)-4H-quinoxalin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 155586953
5-[4-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 155586983
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
5-[4-[[3-oxo-2-(trifluoromethyl)-4H-quinoxalin-6-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 175850823
5-[4-[(8-amino-7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 171812237
5-[(1S,6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]-N-methylpyridine-2-carboxamide
CID 170056471
5-[(6S)-5-[(3-ethyl-2-oxo-1H-pyrido[2,3-b]pyrazin-7-yl)methyl]-2,5-diazabicyclo[4.1.0]heptan-2-yl]-N-methylpyridine-2-carboxamide
CID 170058837
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
CID 178131901
N-methyl-5-[4-[(6-oxo-5,7,8,9-tetrahydrocyclopenta[c][1,5]naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 166088928
N-methyl-5-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189557
5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-N-methylpyridine-2-carboxamide
CID 175824639

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide (CID 171445036) is 5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide is CCc1nc2ccc(CN3CC4(C3)CN(c3ccc(C(=O)NC)nc3)C4)cc2[nH]c1=O.
What is the InChIKey of 5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is IDTJBEVXKXNTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-3-17-22(31)27-20-8-15(4-6-18(20)26-17)10-28-11-23(12-28)13-29(14-23)16-5-7-19(25-9-16)21(30)24-2/h4-9H,3,10-14H2,1-2H3,(H,24,30)(H,27,31).
What are the key properties of 5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide?
5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(2-ethyl-3-oxo-4H-quinoxalin-6-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171445036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).