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

C18H24N4O — CID 72917334

IUPAC6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCC3(CCCN(C(C)C)C3=O)C2)n1
InChIInChI=1S/C18H24N4O/c1-13(2)22-9-4-7-18(17(22)23)8-10-21(12-18)16-15(11-19)6-5-14(3)20-16/h5-6,13H,4,7-10,12H2,1-3H3
InChIKeyDVLWDRSOACCXBM-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.49
Rot. Bonds2

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

6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile (PubChem CID 72917334) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile
PubChem CID72917334
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCC3(CCCN(C(C)C)C3=O)C2)n1
InChIInChI=1S/C18H24N4O/c1-13(2)22-9-4-7-18(17(22)23)8-10-21(12-18)16-15(11-19)6-5-14(3)20-16/h5-6,13H,4,7-10,12H2,1-3H3
InChIKeyDVLWDRSOACCXBM-UHFFFAOYSA-N
XLogP2.49
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile (CID 72917334) is 6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CCC3(CCCN(C(C)C)C3=O)C2)n1.
What is the InChIKey of 6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile?
The InChIKey is DVLWDRSOACCXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(2)22-9-4-7-18(17(22)23)8-10-21(12-18)16-15(11-19)6-5-14(3)20-16/h5-6,13H,4,7-10,12H2,1-3H3.
What are the key properties of 6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile?
6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile has a molecular weight of 312.42 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 72917334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).