N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide

C18H23N3O3 — CID 155872159

IUPACN-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1CCC1)C1CC12CCN(C(=O)Cn1ccccc1=O)C2
InChIInChI=1S/C18H23N3O3/c22-15-6-1-2-8-20(15)11-16(23)21-9-7-18(12-21)10-14(18)17(24)19-13-4-3-5-13/h1-2,6,8,13-14H,3-5,7,9-12H2,(H,19,24)
InChIKeySQMAVGAXFXXJBO-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.76
Rot. Bonds4

About N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide

N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide (PubChem CID 155872159) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide
PubChem CID155872159
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide
SMILESO=C(NC1CCC1)C1CC12CCN(C(=O)Cn1ccccc1=O)C2
InChIInChI=1S/C18H23N3O3/c22-15-6-1-2-8-20(15)11-16(23)21-9-7-18(12-21)10-14(18)17(24)19-13-4-3-5-13/h1-2,6,8,13-14H,3-5,7,9-12H2,(H,19,24)
InChIKeySQMAVGAXFXXJBO-UHFFFAOYSA-N
XLogP0.76
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[2-(2-oxo-1-pyridinyl)acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
CID 131687541
N-cyclobutyl-5-[2-(1-hydroxycyclobutyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683019
N-cyclobutyl-5-(1H-pyrazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683126
N-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]benzamide
CID 24645620
7-(cyclobutylmethyl)-2-[2-(2-oxo-1-pyridinyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72853958
N-cyclobutyl-5-(3-hydroxycyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131682925
(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,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493408
N-cyclobutyl-5-(3-methoxy-1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683110
(2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 97493493
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55496052

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The IUPAC name of N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide (CID 155872159) is N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The canonical SMILES for N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide is O=C(NC1CCC1)C1CC12CCN(C(=O)Cn1ccccc1=O)C2.
What is the InChIKey of N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide?
The InChIKey is SQMAVGAXFXXJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-15-6-1-2-8-20(15)11-16(23)21-9-7-18(12-21)10-14(18)17(24)19-13-4-3-5-13/h1-2,6,8,13-14H,3-5,7,9-12H2,(H,19,24).
What are the key properties of N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide?
N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[2-(2-oxo-1-pyridinyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide is sourced from PubChem (CID 155872159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).