5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one

C14H16ClN3O2 — CID 166407470

IUPAC5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one
SMILESO=C1CC2(CCC2)N(C(=O)c2cccnc2Cl)CCN1
InChIInChI=1S/C14H16ClN3O2/c15-12-10(3-1-6-17-12)13(20)18-8-7-16-11(19)9-14(18)4-2-5-14/h1,3,6H,2,4-5,7-9H2,(H,16,19)
InChIKeyUXQQIKXGFQZPDG-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.62
Rot. Bonds1

About 5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one

5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one (PubChem CID 166407470) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one.

Molecular Properties

Compound Name5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one
PubChem CID166407470
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one
SMILESO=C1CC2(CCC2)N(C(=O)c2cccnc2Cl)CCN1
InChIInChI=1S/C14H16ClN3O2/c15-12-10(3-1-6-17-12)13(20)18-8-7-16-11(19)9-14(18)4-2-5-14/h1,3,6H,2,4-5,7-9H2,(H,16,19)
InChIKeyUXQQIKXGFQZPDG-UHFFFAOYSA-N
XLogP1.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloropyridine-3-carbonyl)-1,4-diazepan-5-one
CID 60708067
5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one
CID 138055260
1-(2-fluoropyridine-3-carbonyl)-1,4-diazepan-5-one
CID 114037699
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
(2-chloro-3-pyridinyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392246
(3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone
CID 107520090
(2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812646
4-(2-chloropyridine-3-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102848032
4-(2-chlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362538
4-[(2-chloro-3-pyridinyl)methyl]piperazin-2-one
CID 60617185
3,3-dimethyl-4-(quinoline-5-carbonyl)piperazin-2-one
CID 63607746

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one?
The IUPAC name of 5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one (CID 166407470) is 5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one.
What is the SMILES notation for 5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one?
The canonical SMILES for 5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one is O=C1CC2(CCC2)N(C(=O)c2cccnc2Cl)CCN1.
What is the InChIKey of 5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one?
The InChIKey is UXQQIKXGFQZPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-12-10(3-1-6-17-12)13(20)18-8-7-16-11(19)9-14(18)4-2-5-14/h1,3,6H,2,4-5,7-9H2,(H,16,19).
What are the key properties of 5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one?
5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one has a molecular weight of 293.75 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropyridine-3-carbonyl)-5,8-diazaspiro[3.6]decan-9-one is sourced from PubChem (CID 166407470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).