6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide

C27H28N8O3 — CID 170634223

About 6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide

6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170634223) has the molecular formula C27H28N8O3 and a molecular weight of 512.57 g/mol. Its IUPAC name is 6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 170634223
• Molecular Formula: C27H28N8O3
• Molecular Weight: 512.57 g/mol
• Exact Mass: 512.23
• IUPAC Name: 6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1nnn2cc(-c3ccc(C(N)=O)cc3)ccc12
• InChI: InChI=1S/C27H28N8O3/c1-16-4-3-11-34(16)15-24(36)30-21-12-22(17(2)29-13-21)31-27(38)25-23-10-9-20(14-35(23)33-32-25)18-5-7-19(8-6-18)26(28)37/h5-10,12-14,16H,3-4,11,15H2,1-2H3,(H2,28,37)(H,30,36)(H,31,38)/t16-/m0/s1
• InChIKey: OZGNACGGCRFPCF-INIZCTEOSA-N
• XLogP: 2.87
• TPSA: 147.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.57
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide (CID 170634223) is 6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide is Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1nnn2cc(-c3ccc(C(N)=O)cc3)ccc12.

What is the InChIKey of 6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is OZGNACGGCRFPCF-INIZCTEOSA-N. The full InChI is InChI=1S/C27H28N8O3/c1-16-4-3-11-34(16)15-24(36)30-21-12-22(17(2)29-13-21)31-27(38)25-23-10-9-20(14-35(23)33-32-25)18-5-7-19(8-6-18)26(28)37/h5-10,12-14,16H,3-4,11,15H2,1-2H3,(H2,28,37)(H,30,36)(H,31,38)/t16-/m0/s1.

What are the key properties of 6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide?

6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 512.57 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).