6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile

C18H24N4O2 — CID 70780044

IUPAC6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)n1
InChIInChI=1S/C18H24N4O2/c19-13-15-3-1-4-16(20-15)21-10-7-18(8-11-21)6-5-17(24)22(14-18)9-2-12-23/h1,3-4,23H,2,5-12,14H2
InChIKeyOEAIDQISFHGEGQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.54
Rot. Bonds4

About 6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile

6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile (PubChem CID 70780044) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile
PubChem CID70780044
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)n1
InChIInChI=1S/C18H24N4O2/c19-13-15-3-1-4-16(20-15)21-10-7-18(8-11-21)6-5-17(24)22(14-18)9-2-12-23/h1,3-4,23H,2,5-12,14H2
InChIKeyOEAIDQISFHGEGQ-UHFFFAOYSA-N
XLogP1.54
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile (CID 70780044) is 6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile is N#Cc1cccc(N2CCC3(CCC(=O)N(CCCO)C3)CC2)n1.
What is the InChIKey of 6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile?
The InChIKey is OEAIDQISFHGEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-13-15-3-1-4-16(20-15)21-10-7-18(8-11-21)6-5-17(24)22(14-18)9-2-12-23/h1,3-4,23H,2,5-12,14H2.
What are the key properties of 6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile?
6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile has a molecular weight of 328.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 70780044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).