(2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

C16H20N4O2 — CID 97493284

IUPAC(2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCc1cnc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)NC3CC3)C2)cn1
InChIInChI=1S/C16H20N4O2/c1-10-7-18-13(8-17-10)15(22)20-5-4-16(9-20)6-12(16)14(21)19-11-2-3-11/h7-8,11-12H,2-6,9H2,1H3,(H,19,21)/t12-,16-/m1/s1
InChIKeyJMCHXQUDXPOXCL-MLGOLLRUSA-N
MW300.36 g/mol
LogP0.92
Rot. Bonds3

About (2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide

(2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 97493284) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID97493284
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
SMILESCc1cnc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)NC3CC3)C2)cn1
InChIInChI=1S/C16H20N4O2/c1-10-7-18-13(8-17-10)15(22)20-5-4-16(9-20)6-12(16)14(21)19-11-2-3-11/h7-8,11-12H,2-6,9H2,1H3,(H,19,21)/t12-,16-/m1/s1
InChIKeyJMCHXQUDXPOXCL-MLGOLLRUSA-N
XLogP0.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493286
(2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 97493493
[(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
CID 97492777
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
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
3-fluoro-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258190
(3R)-N-cyclopropyl-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549906
N-cyclobutyl-5-[2-(1-hydroxycyclobutyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683019
(3-ethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methylpyrazin-2-yl)methanone
CID 134074893
(5-methylpyrazin-2-yl)-[(3R,5R)-3-(pyridin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97489283

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of (2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide (CID 97493284) is (2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is Cc1cnc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)NC3CC3)C2)cn1.
What is the InChIKey of (2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is JMCHXQUDXPOXCL-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-7-18-13(8-17-10)15(22)20-5-4-16(9-20)6-12(16)14(21)19-11-2-3-11/h7-8,11-12H,2-6,9H2,1H3,(H,19,21)/t12-,16-/m1/s1.
What are the key properties of (2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide?
(2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-cyclopropyl-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 97493284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).