N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C16H23N5O — CID 134075471

About N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134075471) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 134075471
• Molecular Formula: C16H23N5O
• Molecular Weight: 301.39 g/mol
• Exact Mass: 301.19
• IUPAC Name: N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: CCNC(=O)c1ccc2nnc(C3CCN(C(C)C)C3)n2c1
• InChI: InChI=1S/C16H23N5O/c1-4-17-16(22)13-5-6-14-18-19-15(21(14)10-13)12-7-8-20(9-12)11(2)3/h5-6,10-12H,4,7-9H2,1-3H3,(H,17,22)
• InChIKey: MEIRMIMUZJYYGC-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.39
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134075471) is N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CCNC(=O)c1ccc2nnc(C3CCN(C(C)C)C3)n2c1.

What is the InChIKey of N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is MEIRMIMUZJYYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-17-16(22)13-5-6-14-18-19-15(21(14)10-13)12-7-8-20(9-12)11(2)3/h5-6,10-12H,4,7-9H2,1-3H3,(H,17,22).

What are the key properties of N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134075471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).