(2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

C18H24N4O2 — CID 97493493

IUPAC(2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cnc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NC2CCC2)cn1
InChIInChI=1S/C18H24N4O2/c1-12-10-20-15(11-19-12)17(24)22-7-5-18(6-8-22)9-14(18)16(23)21-13-3-2-4-13/h10-11,13-14H,2-9H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyMBWHEMZGRKLMIY-CQSZACIVSA-N
MW328.42 g/mol
LogP1.70
Rot. Bonds3

About (2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

(2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 97493493) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID97493493
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cnc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NC2CCC2)cn1
InChIInChI=1S/C18H24N4O2/c1-12-10-20-15(11-19-12)17(24)22-7-5-18(6-8-22)9-14(18)16(23)21-13-3-2-4-13/h10-11,13-14H,2-9H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyMBWHEMZGRKLMIY-CQSZACIVSA-N
XLogP1.70
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493284
(2R,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493286
[(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
CID 97492777
(3R)-N-cyclopropyl-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549906
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683126
N-cyclobutyl-5-(3-methoxy-1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683110
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone
CID 134074893
N-cyclobutyl-5-(3-hydroxycyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131682925
2-azaspiro[4.5]decan-2-yl-(5-methylpyrazin-2-yl)methanone
CID 71999151
(5-methylpyrazin-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 86284339
[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94150695

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 97493493) is (2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1cnc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)NC2CCC2)cn1.
What is the InChIKey of (2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is MBWHEMZGRKLMIY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-10-20-15(11-19-12)17(24)22-7-5-18(6-8-22)9-14(18)16(23)21-13-3-2-4-13/h10-11,13-14H,2-9H2,1H3,(H,21,23)/t14-/m1/s1.
What are the key properties of (2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 97493493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).