9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C21H25N5O3 — CID 72850315

IUPAC9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(Cn1cccnc1=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1
InChIInChI=1S/C21H25N5O3/c27-18-2-5-21(16-26(18)14-17-3-9-22-10-4-17)6-12-24(13-7-21)19(28)15-25-11-1-8-23-20(25)29/h1,3-4,8-11H,2,5-7,12-16H2
InChIKeyLUQWTFUELMZYRH-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.07
Rot. Bonds4

About 9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72850315) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72850315
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C(Cn1cccnc1=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1
InChIInChI=1S/C21H25N5O3/c27-18-2-5-21(16-26(18)14-17-3-9-22-10-4-17)6-12-24(13-7-21)19(28)15-25-11-1-8-23-20(25)29/h1,3-4,8-11H,2,5-7,12-16H2
InChIKeyLUQWTFUELMZYRH-UHFFFAOYSA-N
XLogP1.07
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70740477
9-(2-morpholin-4-ylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72896232
9-(3-hydroxypyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72872797
9-[(2S)-2-pyrazol-1-ylbutanoyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97134429
9-pent-4-enoyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896397
3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72877044
9-(3-chlorobenzoyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72839599
9-(3-methylbenzoyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905211
(6S)-8-(3-pyrazol-1-ylpropanoyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96578286
2-[3-oxo-9-(3-pyridin-4-ylpropanoyl)-2,9-diazaspiro[5.5]undecan-2-yl]acetic acid
CID 86284128
9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72940356
1-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165417874

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72850315) is 9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C(Cn1cccnc1=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1.
What is the InChIKey of 9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LUQWTFUELMZYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c27-18-2-5-21(16-26(18)14-17-3-9-22-10-4-17)6-12-24(13-7-21)19(28)15-25-11-1-8-23-20(25)29/h1,3-4,8-11H,2,5-7,12-16H2.
What are the key properties of 9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 395.46 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72850315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).