8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H24N4O3 — CID 70726064

IUPAC8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESNc1ccc(C(=O)N2CCC3(CC2)CN(CCc2ccccc2)C(=O)O3)cn1
InChIInChI=1S/C21H24N4O3/c22-18-7-6-17(14-23-18)19(26)24-12-9-21(10-13-24)15-25(20(27)28-21)11-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H2,22,23)
InChIKeySKYLEFJHHWVPKQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.33
Rot. Bonds4

About 8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70726064) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70726064
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESNc1ccc(C(=O)N2CCC3(CC2)CN(CCc2ccccc2)C(=O)O3)cn1
InChIInChI=1S/C21H24N4O3/c22-18-7-6-17(14-23-18)19(26)24-12-9-21(10-13-24)15-25(20(27)28-21)11-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H2,22,23)
InChIKeySKYLEFJHHWVPKQ-UHFFFAOYSA-N
XLogP2.33
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(6-methylpyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729484
8-(2-hydroxybenzoyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70717698
(5S)-3-(2-phenylethyl)-7-(6-pyrazol-1-ylpyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125004380
8-(5-methyl-1H-imidazole-4-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70709591
3-(2-phenylethyl)-9-[3-(1,2,4-triazol-4-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 110076363
8-(5-methylpyridine-3-carbonyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70736346
3-[2-oxo-2-[2-oxo-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]ethyl]imidazolidine-2,4-dione
CID 70746629
3-(2-phenylethyl)-8-[(2S)-pyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70730575
(6S)-10-[6-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 125007610
3-hexyl-8-(2-methylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776384
8-[1-(methoxymethyl)cyclobutanecarbonyl]-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705402
1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide
CID 110151763

Frequently Asked Questions

What is the IUPAC name of 8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70726064) is 8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Nc1ccc(C(=O)N2CCC3(CC2)CN(CCc2ccccc2)C(=O)O3)cn1.
What is the InChIKey of 8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SKYLEFJHHWVPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c22-18-7-6-17(14-23-18)19(26)24-12-9-21(10-13-24)15-25(20(27)28-21)11-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H2,22,23).
What are the key properties of 8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 380.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-aminopyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70726064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).