5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C20H28N6O2 — CID 72902885

About 5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 72902885) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 72902885
• Molecular Formula: C20H28N6O2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.23
• IUPAC Name: 5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
• SMILES: CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
• InChI: InChI=1S/C20H28N6O2/c1-2-26-17(14-24-9-3-4-10-24)22-23-19(26)15-7-11-25(12-8-15)20(28)16-5-6-18(27)21-13-16/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,21,27)
• InChIKey: GRGYIFGCAGISKY-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 87.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 72902885) is 5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.

What is the InChIKey of 5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is GRGYIFGCAGISKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-2-26-17(14-24-9-3-4-10-24)22-23-19(26)15-7-11-25(12-8-15)20(28)16-5-6-18(27)21-13-16/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,21,27).

What are the key properties of 5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?

5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 384.48 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 72902885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).