N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen

C25H36N6O4S — CID 161423726

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 161423726) has the molecular formula C25H36N6O4S and a molecular weight of 516.67 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 161423726
• Molecular Formula: C25H36N6O4S
• Molecular Weight: 516.67 g/mol
• Exact Mass: 516.25
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
• SMILES: CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@@H](C)CC[C@@H]3C)n2)cn1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H30N6O4S.3H2/c1-15(2)35-22-13-10-18(14-27-22)20-12-11-19(24(28-20)31-16(3)8-9-17(31)4)25(32)30-36(33,34)23-7-5-6-21(26)29-23;;;/h5-7,10-17H,8-9H2,1-4H3,(H2,26,29)(H,30,32);3*1H/t16-,17-;;;/m0.../s1
• InChIKey: VXBSGEZWKAKTDA-YKRIILNKSA-N
• XLogP: 4.14
• TPSA: 140.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.67
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen (CID 161423726) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@@H](C)CC[C@@H]3C)n2)cn1.[H][H].[H][H].[H][H].

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is VXBSGEZWKAKTDA-YKRIILNKSA-N. The full InChI is InChI=1S/C25H30N6O4S.3H2/c1-15(2)35-22-13-10-18(14-27-22)20-12-11-19(24(28-20)31-16(3)8-9-17(31)4)25(32)30-36(33,34)23-7-5-6-21(26)29-23;;;/h5-7,10-17H,8-9H2,1-4H3,(H2,26,29)(H,30,32);3*1H/t16-,17-;;;/m0.../s1.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen?

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 516.67 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 161423726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).