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

C26H28N8O4S — CID 170634245

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

N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(4-sulfamoylphenyl)triazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170634245) has the molecular formula C26H28N8O4S and a molecular weight of 548.63 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(4-sulfamoylphenyl)triazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(4-sulfamoylphenyl)triazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 170634245
• Molecular Formula: C26H28N8O4S
• Molecular Weight: 548.63 g/mol
• Exact Mass: 548.20
• IUPAC Name: N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(4-sulfamoylphenyl)triazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCC[C@@H]2C)cc1NC(=O)c1nnn2cc(-c3ccc(S(N)(=O)=O)cc3)ccc12
• InChI: InChI=1S/C26H28N8O4S/c1-16-4-3-11-33(16)15-24(35)29-20-12-22(17(2)28-13-20)30-26(36)25-23-10-7-19(14-34(23)32-31-25)18-5-8-21(9-6-18)39(27,37)38/h5-10,12-14,16H,3-4,11,15H2,1-2H3,(H,29,35)(H,30,36)(H2,27,37,38)/t16-/m0/s1
• InChIKey: YVGPUSAQFNGJEZ-INIZCTEOSA-N
• XLogP: 2.42
• TPSA: 164.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.63
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(4-sulfamoylphenyl)triazolo[1,5-a]pyridine-3-carboxamide (CID 170634245) is N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(4-sulfamoylphenyl)triazolo[1,5-a]pyridine-3-carboxamide.

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

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

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

The InChIKey is YVGPUSAQFNGJEZ-INIZCTEOSA-N. The full InChI is InChI=1S/C26H28N8O4S/c1-16-4-3-11-33(16)15-24(35)29-20-12-22(17(2)28-13-20)30-26(36)25-23-10-7-19(14-34(23)32-31-25)18-5-8-21(9-6-18)39(27,37)38/h5-10,12-14,16H,3-4,11,15H2,1-2H3,(H,29,35)(H,30,36)(H2,27,37,38)/t16-/m0/s1.

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

N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(4-sulfamoylphenyl)triazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 548.63 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-6-(4-sulfamoylphenyl)triazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).