N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)

C64H84ClN15O11S3 — CID 159271501

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)

N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide) (PubChem CID 159271501) has the molecular formula C64H84ClN15O11S3 and a molecular weight of 1371.12 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide).

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)
• PubChem CID: 159271501
• Molecular Formula: C64H84ClN15O11S3
• Molecular Weight: 1371.12 g/mol
• Exact Mass: 1369.53
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide)
• SMILES: COCC1CC1c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1.COCC1CC1c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1.C[C@@H]1CN(c2nc(Cl)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
• InChI: InChI=1S/2C23H31N5O4S.C18H22ClN5O3S/c2*1-14-11-23(2,3)28(12-14)21-16(8-9-18(25-21)17-10-15(17)13-32-4)22(29)27-33(30,31)20-7-5-6-19(24)26-20;1-11-9-18(2,3)24(10-11)16-12(7-8-13(19)21-16)17(25)23-28(26,27)15-6-4-5-14(20)22-15/h2*5-9,14-15,17H,10-13H2,1-4H3,(H2,24,26)(H,27,29);4-8,11H,9-10H2,1-3H3,(H2,20,22)(H,23,25)/t2*14-,15?,17?;11-/m000/s1
• InChIKey: KXTSCGIJFLKQGA-GYWRXWJFSA-N
• XLogP: 7.56
• TPSA: 373.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1371.12
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide) (CID 159271501) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide).

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide) is COCC1CC1c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1.COCC1CC1c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1.C[C@@H]1CN(c2nc(Cl)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.

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

The InChIKey is KXTSCGIJFLKQGA-GYWRXWJFSA-N. The full InChI is InChI=1S/2C23H31N5O4S.C18H22ClN5O3S/c2*1-14-11-23(2,3)28(12-14)21-16(8-9-18(25-21)17-10-15(17)13-32-4)22(29)27-33(30,31)20-7-5-6-19(24)26-20;1-11-9-18(2,3)24(10-11)16-12(7-8-13(19)21-16)17(25)23-28(26,27)15-6-4-5-14(20)22-15/h2*5-9,14-15,17H,10-13H2,1-4H3,(H2,24,26)(H,27,29);4-8,11H,9-10H2,1-3H3,(H2,20,22)(H,23,25)/t2*14-,15?,17?;11-/m000/s1.

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide) has a molecular weight of 1371.12 g/mol, XLogP of 7.56, 18 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;bis(N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(methoxymethyl)cyclopropyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide) is sourced from PubChem (CID 159271501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).