6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile

C26H27N5O2 — CID 67289228

IUPAC6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile
SMILESCc1cnc(-c2cccc(CN3CCCC4(CCN(c5cccc(C#N)n5)CC4)C3=O)c2)o1
InChIInChI=1S/C26H27N5O2/c1-19-17-28-24(33-19)21-6-2-5-20(15-21)18-31-12-4-9-26(25(31)32)10-13-30(14-11-26)23-8-3-7-22(16-27)29-23/h2-3,5-8,15,17H,4,9-14,18H2,1H3
InChIKeyNPKOWHKDUFFUQT-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.33
Rot. Bonds4

About 6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile

6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile (PubChem CID 67289228) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile
PubChem CID67289228
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile
SMILESCc1cnc(-c2cccc(CN3CCCC4(CCN(c5cccc(C#N)n5)CC4)C3=O)c2)o1
InChIInChI=1S/C26H27N5O2/c1-19-17-28-24(33-19)21-6-2-5-20(15-21)18-31-12-4-9-26(25(31)32)10-13-30(14-11-26)23-8-3-7-22(16-27)29-23/h2-3,5-8,15,17H,4,9-14,18H2,1H3
InChIKeyNPKOWHKDUFFUQT-UHFFFAOYSA-N
XLogP4.33
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile (CID 67289228) is 6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile is Cc1cnc(-c2cccc(CN3CCCC4(CCN(c5cccc(C#N)n5)CC4)C3=O)c2)o1.
What is the InChIKey of 6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile?
The InChIKey is NPKOWHKDUFFUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-19-17-28-24(33-19)21-6-2-5-20(15-21)18-31-12-4-9-26(25(31)32)10-13-30(14-11-26)23-8-3-7-22(16-27)29-23/h2-3,5-8,15,17H,4,9-14,18H2,1H3.
What are the key properties of 6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile?
6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile has a molecular weight of 441.54 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]-1-oxo-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 67289228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).