2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone

C19H23N5O — CID 98776766

IUPAC2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
SMILESO=C(Cc1cccnc1)N1CCC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H23N5O/c25-17(13-16-3-1-7-20-14-16)24-12-6-19(15-24)4-10-23(11-5-19)18-21-8-2-9-22-18/h1-3,7-9,14H,4-6,10-13,15H2
InChIKeySINWABKXVSNQOY-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.93
Rot. Bonds3

About 2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone

2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone (PubChem CID 98776766) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone.

Molecular Properties

Compound Name2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
PubChem CID98776766
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
SMILESO=C(Cc1cccnc1)N1CCC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H23N5O/c25-17(13-16-3-1-7-20-14-16)24-12-6-19(15-24)4-10-23(11-5-19)18-21-8-2-9-22-18/h1-3,7-9,14H,4-6,10-13,15H2
InChIKeySINWABKXVSNQOY-UHFFFAOYSA-N
XLogP1.93
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-N,N-dimethyl-9-(2-pyridin-3-ylacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97370537
1-[8-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-pyridin-3-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 155827126
1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 118741130
2-(3-fluorophenyl)-1-(9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl)ethanone
CID 131653455
1-[(5R)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 97370532
1-(2,8-diazaspiro[4.5]decan-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 91839669
1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 72933718
3-pyridin-3-yl-1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398096
1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110114410
2-pyridin-3-yl-1-[5-(pyridin-3-ylmethyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-yl]ethanone
CID 110067131
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 98776791

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone?
The IUPAC name of 2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone (CID 98776766) is 2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone.
What is the SMILES notation for 2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone?
The canonical SMILES for 2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone is O=C(Cc1cccnc1)N1CCC2(CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone?
The InChIKey is SINWABKXVSNQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-17(13-16-3-1-7-20-14-16)24-12-6-19(15-24)4-10-23(11-5-19)18-21-8-2-9-22-18/h1-3,7-9,14H,4-6,10-13,15H2.
What are the key properties of 2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone?
2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone has a molecular weight of 337.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone is sourced from PubChem (CID 98776766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).