3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide

C13H16ClN5O2 — CID 106422842

About 3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide

3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 106422842) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
• PubChem CID: 106422842
• Molecular Formula: C13H16ClN5O2
• Molecular Weight: 309.76 g/mol
• Exact Mass: 309.10
• IUPAC Name: 3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
• SMILES: CCNc1ccc(Cl)c(C(=O)NCCc2noc(C)n2)n1
• InChI: InChI=1S/C13H16ClN5O2/c1-3-15-10-5-4-9(14)12(18-10)13(20)16-7-6-11-17-8(2)21-19-11/h4-5H,3,6-7H2,1-2H3,(H,15,18)(H,16,20)
• InChIKey: IXHVZGSUJJIZHS-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.76
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?

The IUPAC name of 3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide (CID 106422842) is 3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?

The canonical SMILES for 3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)NCCc2noc(C)n2)n1.

What is the InChIKey of 3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?

The InChIKey is IXHVZGSUJJIZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-3-15-10-5-4-9(14)12(18-10)13(20)16-7-6-11-17-8(2)21-19-11/h4-5H,3,6-7H2,1-2H3,(H,15,18)(H,16,20).

What are the key properties of 3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide?

3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 309.76 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 106422842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).