1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

C19H21N5O3 — CID 157015414

IUPAC1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCC12CCCN(Cc1ccccn1)C2=O
InChIInChI=1S/C19H21N5O3/c25-16-12-21-15(11-22-16)17(26)24-10-4-7-19(24)6-3-9-23(18(19)27)13-14-5-1-2-8-20-14/h1-2,5,8,11-12H,3-4,6-7,9-10,13H2,(H,22,25)
InChIKeyBPDRKFAZXURSEL-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.96
Rot. Bonds3

About 1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 157015414) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID157015414
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCCC12CCCN(Cc1ccccn1)C2=O
InChIInChI=1S/C19H21N5O3/c25-16-12-21-15(11-22-16)17(26)24-10-4-7-19(24)6-3-9-23(18(19)27)13-14-5-1-2-8-20-14/h1-2,5,8,11-12H,3-4,6-7,9-10,13H2,(H,22,25)
InChIKeyBPDRKFAZXURSEL-UHFFFAOYSA-N
XLogP0.96
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-1,3-thiazole-4-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627802
1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164692870
1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163313841
1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634959
1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163311205
5-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 72849233
1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626574
9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163308559
9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630199
5-(3,3-diphenylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 72928446
9-benzyl-1-(3-hydroxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015677
9-(2-hydroxyethyl)-1-(quinoxaline-5-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633260

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 157015414) is 1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is O=C(c1c[nH]c(=O)cn1)N1CCCC12CCCN(Cc1ccccn1)C2=O.
What is the InChIKey of 1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is BPDRKFAZXURSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-16-12-21-15(11-22-16)17(26)24-10-4-7-19(24)6-3-9-23(18(19)27)13-14-5-1-2-8-20-14/h1-2,5,8,11-12H,3-4,6-7,9-10,13H2,(H,22,25).
What are the key properties of 1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 367.41 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 157015414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).