4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile

C17H23N3O2 — CID 17409909

IUPAC4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C)CC1
InChIInChI=1S/C17H23N3O2/c1-11-6-8-20(9-7-11)16(21)5-4-14-12(2)15(10-18)17(22)19-13(14)3/h11H,4-9H2,1-3H3,(H,19,22)
InChIKeyWFNIHUDYQRGARU-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.05
Rot. Bonds3

About 4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile

4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 17409909) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID17409909
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C)CC1
InChIInChI=1S/C17H23N3O2/c1-11-6-8-20(9-7-11)16(21)5-4-14-12(2)15(10-18)17(22)19-13(14)3/h11H,4-9H2,1-3H3,(H,19,22)
InChIKeyWFNIHUDYQRGARU-UHFFFAOYSA-N
XLogP2.05
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 17409909) is 4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C)CC1.
What is the InChIKey of 4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is WFNIHUDYQRGARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-6-8-20(9-7-11)16(21)5-4-14-12(2)15(10-18)17(22)19-13(14)3/h11H,4-9H2,1-3H3,(H,19,22).
What are the key properties of 4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile?
4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 301.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 17409909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).