N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide

C26H30N8O2 — CID 170634225

About N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170634225) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 170634225
• Molecular Formula: C26H30N8O2
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.25
• IUPAC Name: N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1nnn2cc(-c3cc[nH]c3)ccc12
• InChI: InChI=1S/C26H30N8O2/c1-17-21(13-20(15-29-17)24(35)28-10-12-33-11-4-8-26(33,2)3)30-25(36)23-22-6-5-19(16-34(22)32-31-23)18-7-9-27-14-18/h5-7,9,13-16,27H,4,8,10-12H2,1-3H3,(H,28,35)(H,30,36)
• InChIKey: URANPQASCZYARC-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 120.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide (CID 170634225) is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1nnn2cc(-c3cc[nH]c3)ccc12.

What is the InChIKey of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is URANPQASCZYARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-17-21(13-20(15-29-17)24(35)28-10-12-33-11-4-8-26(33,2)3)30-25(36)23-22-6-5-19(16-34(22)32-31-23)18-7-9-27-14-18/h5-7,9,13-16,27H,4,8,10-12H2,1-3H3,(H,28,35)(H,30,36).

What are the key properties of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide?

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-6-(1H-pyrrol-3-yl)triazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).