9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide

C17H24N4O3 — CID 121495253

IUPAC9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1cccc(CCNC(=O)N2CCC3(CN(C)C(=O)CO3)C2)n1
InChIInChI=1S/C17H24N4O3/c1-13-4-3-5-14(19-13)6-8-18-16(23)21-9-7-17(12-21)11-20(2)15(22)10-24-17/h3-5H,6-12H2,1-2H3,(H,18,23)
InChIKeyNRANEHOXSJFZEC-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.58
Rot. Bonds3

About 9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide

9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 121495253) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID121495253
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1cccc(CCNC(=O)N2CCC3(CN(C)C(=O)CO3)C2)n1
InChIInChI=1S/C17H24N4O3/c1-13-4-3-5-14(19-13)6-8-18-16(23)21-9-7-17(12-21)11-20(2)15(22)10-24-17/h3-5H,6-12H2,1-2H3,(H,18,23)
InChIKeyNRANEHOXSJFZEC-UHFFFAOYSA-N
XLogP0.58
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethylphenoxy)ethyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 122571263
9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471492
(4S)-N-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
CID 125141015
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 121498272
4-[(1R)-1-hydroxy-2-phenylethyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-1-carboxamide
CID 126428645
9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 119062413
2-[(6-methyl-2-pyridinyl)methyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131687291
4-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155829039
9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 176504094
(5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 126425152
4-methyl-3-oxo-N-(2-phenoxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 138381896
(5S)-2-(3-ethyl-1H-indole-2-carbonyl)-9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 126424547

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 121495253) is 9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide is Cc1cccc(CCNC(=O)N2CCC3(CN(C)C(=O)CO3)C2)n1.
What is the InChIKey of 9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is NRANEHOXSJFZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13-4-3-5-14(19-13)6-8-18-16(23)21-9-7-17(12-21)11-20(2)15(22)10-24-17/h3-5H,6-12H2,1-2H3,(H,18,23).
What are the key properties of 9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide?
9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 121495253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).