N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C27H34N6O4S — CID 121251123

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251123) has the molecular formula C27H34N6O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 121251123
• Molecular Formula: C27H34N6O4S
• Molecular Weight: 538.67 g/mol
• Exact Mass: 538.24
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: C[C@@H]1CC[C@H](C)N1c1nc(-c2ccc(OCC(C)(C)C)nc2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
• InChI: InChI=1S/C27H34N6O4S/c1-17-9-10-18(2)33(17)25-20(26(34)32-38(35,36)24-8-6-7-22(28)31-24)12-13-21(30-25)19-11-14-23(29-15-19)37-16-27(3,4)5/h6-8,11-15,17-18H,9-10,16H2,1-5H3,(H2,28,31)(H,32,34)/t17-,18+
• InChIKey: MQQLPDNCOWASFT-HDICACEKSA-N
• XLogP: 4.04
• TPSA: 140.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.67
LogP ≤ 5	4.04
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]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251123) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CC[C@H](C)N1c1nc(-c2ccc(OCC(C)(C)C)nc2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is MQQLPDNCOWASFT-HDICACEKSA-N. The full InChI is InChI=1S/C27H34N6O4S/c1-17-9-10-18(2)33(17)25-20(26(34)32-38(35,36)24-8-6-7-22(28)31-24)12-13-21(30-25)19-11-14-23(29-15-19)37-16-27(3,4)5/h6-8,11-15,17-18H,9-10,16H2,1-5H3,(H2,28,31)(H,32,34)/t17-,18+.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 538.67 g/mol, XLogP of 4.04, 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]-6-[6-(2,2-dimethylpropoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).