6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile

C18H18N6O — CID 118744633

IUPAC6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC3(CCN(c4cncnc4)C3=O)C2)nc1
InChIInChI=1S/C18H18N6O/c19-8-14-2-3-16(22-9-14)23-6-1-4-18(12-23)5-7-24(17(18)25)15-10-20-13-21-11-15/h2-3,9-11,13H,1,4-7,12H2
InChIKeyOOGWHDGQCSFXPJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.77
Rot. Bonds2

About 6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile

6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile (PubChem CID 118744633) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile
PubChem CID118744633
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC3(CCN(c4cncnc4)C3=O)C2)nc1
InChIInChI=1S/C18H18N6O/c19-8-14-2-3-16(22-9-14)23-6-1-4-18(12-23)5-7-24(17(18)25)15-10-20-13-21-11-15/h2-3,9-11,13H,1,4-7,12H2
InChIKeyOOGWHDGQCSFXPJ-UHFFFAOYSA-N
XLogP1.77
TPSA86.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile (CID 118744633) is 6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2CCCC3(CCN(c4cncnc4)C3=O)C2)nc1.
What is the InChIKey of 6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile?
The InChIKey is OOGWHDGQCSFXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c19-8-14-2-3-16(22-9-14)23-6-1-4-18(12-23)5-7-24(17(18)25)15-10-20-13-21-11-15/h2-3,9-11,13H,1,4-7,12H2.
What are the key properties of 6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile?
6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-oxo-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 118744633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).