2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C13H14ClN3O3 — CID 139598609

IUPAC2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(C(=O)c3ccc(Cl)cn3)C2)CN1
InChIInChI=1S/C13H14ClN3O3/c14-9-1-2-10(15-5-9)12(19)17-4-3-13(8-17)7-16-11(18)6-20-13/h1-2,5H,3-4,6-8H2,(H,16,18)
InChIKeyGUXGNVKJHGCUFP-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.47
Rot. Bonds1

About 2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 139598609) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID139598609
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(C(=O)c3ccc(Cl)cn3)C2)CN1
InChIInChI=1S/C13H14ClN3O3/c14-9-1-2-10(15-5-9)12(19)17-4-3-13(8-17)7-16-11(18)6-20-13/h1-2,5H,3-4,6-8H2,(H,16,18)
InChIKeyGUXGNVKJHGCUFP-UHFFFAOYSA-N
XLogP0.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727395
(5-chloro-2-pyridinyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78995303
2-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 176500676
2-[5-(3-chlorophenyl)naphthalene-1-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 172671620
3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107322971
2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 118962985
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbonitrile
CID 113364813
9-(pyridine-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155838295
9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131686408
(6R,11R)-8-(5-chloropyridine-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164697471
(5-chloro-2-pyridinyl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 65461122
N-(2-ethoxyphenyl)-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 138387517

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 139598609) is 2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is O=C1COC2(CCN(C(=O)c3ccc(Cl)cn3)C2)CN1.
What is the InChIKey of 2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is GUXGNVKJHGCUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c14-9-1-2-10(15-5-9)12(19)17-4-3-13(8-17)7-16-11(18)6-20-13/h1-2,5H,3-4,6-8H2,(H,16,18).
What are the key properties of 2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 295.73 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyridine-2-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 139598609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).