N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen

C45H62ClN11O8S2 — CID 159562820

About N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen

N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 159562820) has the molecular formula C45H62ClN11O8S2 and a molecular weight of 984.65 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 159562820
• Molecular Formula: C45H62ClN11O8S2
• Molecular Weight: 984.65 g/mol
• Exact Mass: 983.39
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen
• SMILES: CCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(Cl)n2)n1.CCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H32N6O4S.C19H18ClN5O4S.6H2/c1-6-36-22-13-16(2)12-20(29-22)19-10-9-18(24(30-19)32-15-17(3)14-26(32,4)5)25(33)31-37(34,35)21-8-7-11-28-23(21)27;1-3-29-16-10-11(2)9-14(23-16)13-7-6-12(17(20)24-13)19(26)25-30(27,28)15-5-4-8-22-18(15)21;;;;;;/h7-13,17H,6,14-15H2,1-5H3,(H2,27,28)(H,31,33);4-10H,3H2,1-2H3,(H2,21,22)(H,25,26);6*1H/t17-;;;;;;;/m0......./s1
• InChIKey: MGVIXFLDQFHUHL-VJLWYOCBSA-N
• XLogP: 7.65
• TPSA: 277.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	984.65
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen (CID 159562820) is N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen is CCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(Cl)n2)n1.CCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen?

The InChIKey is MGVIXFLDQFHUHL-VJLWYOCBSA-N. The full InChI is InChI=1S/C26H32N6O4S.C19H18ClN5O4S.6H2/c1-6-36-22-13-16(2)12-20(29-22)19-10-9-18(24(30-19)32-15-17(3)14-26(32,4)5)25(33)31-37(34,35)21-8-7-11-28-23(21)27;1-3-29-16-10-11(2)9-14(23-16)13-7-6-12(17(20)24-13)19(26)25-30(27,28)15-5-4-8-22-18(15)21;;;;;;/h7-13,17H,6,14-15H2,1-5H3,(H2,27,28)(H,31,33);4-10H,3H2,1-2H3,(H2,21,22)(H,25,26);6*1H/t17-;;;;;;;/m0......./s1.

What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen?

N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 984.65 g/mol, XLogP of 7.65, 13 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-3-pyridinyl)sulfonyl]-2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-ethoxy-4-methyl-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 159562820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).