N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)

C69H92N15O12S3+ — CID 161244285

About N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)

N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide) (PubChem CID 161244285) has the molecular formula C69H92N15O12S3+ and a molecular weight of 1419.79 g/mol. Its IUPAC name is N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide).

Molecular Properties

• Compound Name: N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)
• PubChem CID: 161244285
• Molecular Formula: C69H92N15O12S3+
• Molecular Weight: 1419.79 g/mol
• Exact Mass: 1418.62
• IUPAC Name: N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)
• SMILES: C[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)C2=NC(N)=[C+]C=C2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
• InChI: InChI=1S/2C23H31N5O4S.C23H29N5O4S/c3*1-15-13-23(2,3)28(14-15)21-16(10-11-17(25-21)18-7-4-5-12-32-18)22(29)27-33(30,31)20-9-6-8-19(24)26-20/h2*6,8-11,15,18H,4-5,7,12-14H2,1-3H3,(H2,24,26)(H,27,29);6,9-11,15,18H,4-5,7,12-14H2,1-3H3,(H2-,24,26,27,29)/p+1/t3*15-,18?/m000/s1
• InChIKey: VAKQETXZUXIVEG-FUNDIWKISA-O
• XLogP: 8.67
• TPSA: 382.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1419.79
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)?

The IUPAC name of N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide) (CID 161244285) is N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide).

What is the SMILES notation for N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)?

The canonical SMILES for N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide) is C[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)C2=NC(N)=[C+]C=C2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.

What is the InChIKey of N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)?

The InChIKey is VAKQETXZUXIVEG-FUNDIWKISA-O. The full InChI is InChI=1S/2C23H31N5O4S.C23H29N5O4S/c3*1-15-13-23(2,3)28(14-15)21-16(10-11-17(25-21)18-7-4-5-12-32-18)22(29)27-33(30,31)20-9-6-8-19(24)26-20/h2*6,8-11,15,18H,4-5,7,12-14H2,1-3H3,(H2,24,26)(H,27,29);6,9-11,15,18H,4-5,7,12-14H2,1-3H3,(H2-,24,26,27,29)/p+1/t3*15-,18?/m000/s1.

What are the key properties of N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)?

N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide) has a molecular weight of 1419.79 g/mol, XLogP of 8.67, 13 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-3H-pyridin-3-ylium-6-yl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-(oxan-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide) is sourced from PubChem (CID 161244285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).