5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C24H32N6O2 — CID 176560514

IUPAC5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1ncc([C@@H]2CCC3(CC3N3CCN(c4ccc(C(=O)NC)nc4)CC3)C2)[nH]c1=O
InChIInChI=1S/C24H32N6O2/c1-3-18-23(32)28-20(15-27-18)16-6-7-24(12-16)13-21(24)30-10-8-29(9-11-30)17-4-5-19(26-14-17)22(31)25-2/h4-5,14-16,21H,3,6-13H2,1-2H3,(H,25,31)(H,28,32)/t16-,21?,24?/m1/s1
InChIKeyNSTBRSLWUMCASQ-NEDNOIINSA-N
MW436.56 g/mol
LogP1.94
Rot. Bonds5

About 5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 176560514) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID176560514
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCc1ncc([C@@H]2CCC3(CC3N3CCN(c4ccc(C(=O)NC)nc4)CC3)C2)[nH]c1=O
InChIInChI=1S/C24H32N6O2/c1-3-18-23(32)28-20(15-27-18)16-6-7-24(12-16)13-21(24)30-10-8-29(9-11-30)17-4-5-19(26-14-17)22(31)25-2/h4-5,14-16,21H,3,6-13H2,1-2H3,(H,25,31)(H,28,32)/t16-,21?,24?/m1/s1
InChIKeyNSTBRSLWUMCASQ-NEDNOIINSA-N
XLogP1.94
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 176560627
N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964726
5-[4-[1-(5-ethyl-6-oxo-1H-pyridin-2-yl)-2-oxopyrrolidin-3-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176560594
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149167
5-[4-[(1S,3R)-3-(7-fluoro-1-oxo-2H-isoquinolin-3-yl)cyclopentyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 176964801
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149082
5-[4-[3-(7-chloro-1-oxo-2H-isoquinolin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169148762
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
N-methyl-5-[4-[(1R,3R)-3-(5-oxo-2,3,4,6-tetrahydropyrano[3,2-c]pyridin-7-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964547
N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
CID 176689658
5-[4-[(1S,3R)-3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(2-fluoroethyl)pyridine-2-carboxamide
CID 176560476
CID 166088951
CID 166088951

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 176560514) is 5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CCc1ncc([C@@H]2CCC3(CC3N3CCN(c4ccc(C(=O)NC)nc4)CC3)C2)[nH]c1=O.
What is the InChIKey of 5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is NSTBRSLWUMCASQ-NEDNOIINSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-3-18-23(32)28-20(15-27-18)16-6-7-24(12-16)13-21(24)30-10-8-29(9-11-30)17-4-5-19(26-14-17)22(31)25-2/h4-5,14-16,21H,3,6-13H2,1-2H3,(H,25,31)(H,28,32)/t16-,21?,24?/m1/s1.
What are the key properties of 5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(6R)-6-(5-ethyl-6-oxo-1H-pyrazin-2-yl)spiro[2.4]heptan-2-yl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176560514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).