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

C41H57ClN10O7S2 — CID 158507529

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 158507529) has the molecular formula C41H57ClN10O7S2 and a molecular weight of 901.56 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 158507529
• Molecular Formula: C41H57ClN10O7S2
• Molecular Weight: 901.56 g/mol
• Exact Mass: 900.35
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen
• SMILES: C[C@@H]1CN(c2nc(C3=CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.C[C@@H]1CN(c2nc(Cl)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H29N5O4S.C18H22ClN5O3S.3H2/c1-15-13-23(2,3)28(14-15)21-16(9-10-17(26-21)18-7-4-5-12-32-18)22(29)27-33(30,31)19-8-6-11-25-20(19)24;1-11-9-18(2,3)24(10-11)16-12(6-7-14(19)22-16)17(25)23-28(26,27)13-5-4-8-21-15(13)20;;;/h6-11,15H,4-5,12-14H2,1-3H3,(H2,24,25)(H,27,29);4-8,11H,9-10H2,1-3H3,(H2,20,21)(H,23,25);3*1H/t15-;11-;;;/m00.../s1
• InChIKey: HKQHCWHOKXCPHD-UATRRPIVSA-N
• XLogP: 6.15
• TPSA: 245.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	901.56
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen (CID 158507529) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3,4-dihydro-2H-pyran-6-yl)-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]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen is C[C@@H]1CN(c2nc(C3=CCCCO3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.C[C@@H]1CN(c2nc(Cl)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.[H][H].[H][H].[H][H].

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

The InChIKey is HKQHCWHOKXCPHD-UATRRPIVSA-N. The full InChI is InChI=1S/C23H29N5O4S.C18H22ClN5O3S.3H2/c1-15-13-23(2,3)28(14-15)21-16(9-10-17(26-21)18-7-4-5-12-32-18)22(29)27-33(30,31)19-8-6-11-25-20(19)24;1-11-9-18(2,3)24(10-11)16-12(6-7-14(19)22-16)17(25)23-28(26,27)13-5-4-8-21-15(13)20;;;/h6-11,15H,4-5,12-14H2,1-3H3,(H2,24,25)(H,27,29);4-8,11H,9-10H2,1-3H3,(H2,20,21)(H,23,25);3*1H/t15-;11-;;;/m00.../s1.

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 901.56 g/mol, XLogP of 6.15, 9 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3,4-dihydro-2H-pyran-6-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158507529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).