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

C17H23N3O2 — CID 41143827

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

4,6-dimethyl-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 41143827) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4,6-dimethyl-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4,6-dimethyl-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile
• PubChem CID: 41143827
• Molecular Formula: C17H23N3O2
• Molecular Weight: 301.39 g/mol
• Exact Mass: 301.18
• IUPAC Name: 4,6-dimethyl-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile
• SMILES: Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C)C1
• InChI: InChI=1S/C17H23N3O2/c1-11-5-4-8-20(10-11)16(21)7-6-14-12(2)15(9-18)17(22)19-13(14)3/h11H,4-8,10H2,1-3H3,(H,19,22)/t11-/m0/s1
• InChIKey: FJUNHZSDKPPJFY-NSHDSACASA-N
• XLogP: 2.05
• TPSA: 76.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.39
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile?

The IUPAC name of 4,6-dimethyl-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 41143827) is 4,6-dimethyl-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile.

What is the SMILES notation for 4,6-dimethyl-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile?

The canonical SMILES for 4,6-dimethyl-5-[3-[(3S)-3-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@H](C)C1.

What is the InChIKey of 4,6-dimethyl-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile?

The InChIKey is FJUNHZSDKPPJFY-NSHDSACASA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-5-4-8-20(10-11)16(21)7-6-14-12(2)15(9-18)17(22)19-13(14)3/h11H,4-8,10H2,1-3H3,(H,19,22)/t11-/m0/s1.

What are the key properties of 4,6-dimethyl-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile?

4,6-dimethyl-5-[3-[(3S)-3-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-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 41143827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).