4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile

C19H24N6O2 — CID 167979455

About 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile

4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile (PubChem CID 167979455) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile
• PubChem CID: 167979455
• Molecular Formula: C19H24N6O2
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.20
• IUPAC Name: 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile
• SMILES: Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(Cc2cn[nH]n2)CC1
• InChI: InChI=1S/C19H24N6O2/c1-12-16(13(2)22-19(27)17(12)10-20)3-4-18(26)25-7-5-14(6-8-25)9-15-11-21-24-23-15/h11,14H,3-9H2,1-2H3,(H,22,27)(H,21,23,24)
• InChIKey: WYNSVWJSHLUTTM-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 118.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile?

The IUPAC name of 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile (CID 167979455) is 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile.

What is the SMILES notation for 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile?

The canonical SMILES for 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(Cc2cn[nH]n2)CC1.

What is the InChIKey of 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile?

The InChIKey is WYNSVWJSHLUTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12-16(13(2)22-19(27)17(12)10-20)3-4-18(26)25-7-5-14(6-8-25)9-15-11-21-24-23-15/h11,14H,3-9H2,1-2H3,(H,22,27)(H,21,23,24).

What are the key properties of 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile?

4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile has a molecular weight of 368.44 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dimethyl-2-oxo-5-[3-oxo-3-[4-(2H-triazol-4-ylmethyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 167979455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).