4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile

C19H26N4O — CID 72856465

IUPAC4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC3(CCCN(C(C)C)C3=O)C2)n1
InChIInChI=1S/C19H26N4O/c1-13(2)23-8-5-6-19(18(23)24)7-9-22(12-19)17-16(11-20)14(3)10-15(4)21-17/h10,13H,5-9,12H2,1-4H3
InChIKeyYZZJXASHURPZIE-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.80
Rot. Bonds2

About 4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile

4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile (PubChem CID 72856465) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile
PubChem CID72856465
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC3(CCCN(C(C)C)C3=O)C2)n1
InChIInChI=1S/C19H26N4O/c1-13(2)23-8-5-6-19(18(23)24)7-9-22(12-19)17-16(11-20)14(3)10-15(4)21-17/h10,13H,5-9,12H2,1-4H3
InChIKeyYZZJXASHURPZIE-UHFFFAOYSA-N
XLogP2.80
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile (CID 72856465) is 4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCC3(CCCN(C(C)C)C3=O)C2)n1.
What is the InChIKey of 4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile?
The InChIKey is YZZJXASHURPZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)23-8-5-6-19(18(23)24)7-9-22(12-19)17-16(11-20)14(3)10-15(4)21-17/h10,13H,5-9,12H2,1-4H3.
What are the key properties of 4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile?
4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile has a molecular weight of 326.44 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 72856465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).