(3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

C19H24N6O2 — CID 7407416

About (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 7407416) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 7407416
• Molecular Formula: C19H24N6O2
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.20
• IUPAC Name: (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
• SMILES: CCc1c(C)nc2ncnn2c1N1CCC[C@@H](C(=O)NCc2ccco2)C1
• InChI: InChI=1S/C19H24N6O2/c1-3-16-13(2)23-19-21-12-22-25(19)18(16)24-8-4-6-14(11-24)17(26)20-10-15-7-5-9-27-15/h5,7,9,12,14H,3-4,6,8,10-11H2,1-2H3,(H,20,26)/t14-/m1/s1
• InChIKey: UGEUXXZMTFTOOZ-CQSZACIVSA-N
• XLogP: 2.12
• TPSA: 88.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?

The IUPAC name of (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 7407416) is (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide is CCc1c(C)nc2ncnn2c1N1CCC[C@@H](C(=O)NCc2ccco2)C1.

What is the InChIKey of (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?

The InChIKey is UGEUXXZMTFTOOZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-3-16-13(2)23-19-21-12-22-25(19)18(16)24-8-4-6-14(11-24)17(26)20-10-15-7-5-9-27-15/h5,7,9,12,14H,3-4,6,8,10-11H2,1-2H3,(H,20,26)/t14-/m1/s1.

What are the key properties of (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide?

(3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 7407416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).