N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C72H99N15O9S3 — CID 159861816

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 159861816) has the molecular formula C72H99N15O9S3 and a molecular weight of 1414.88 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 159861816
• Molecular Formula: C72H99N15O9S3
• Molecular Weight: 1414.88 g/mol
• Exact Mass: 1413.69
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CCC(C3CC3)C2(C)C)n1.CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CCC(C3CC3)C2(C)C)n1.CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CCC(C3CC3)C2(C)C)n1
• InChI: InChI=1S/3C24H33N5O3S/c3*1-23(2,3)18-12-11-16(22(30)28-33(31,32)20-8-6-7-19(25)27-20)21(26-18)29-14-13-17(15-9-10-15)24(29,4)5/h3*6-8,11-12,15,17H,9-10,13-14H2,1-5H3,(H2,25,27)(H,28,30)
• InChIKey: NRFXLLXWXLJVMG-UHFFFAOYSA-N
• XLogP: 10.47
• TPSA: 354.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1414.88
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 159861816) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CCC(C3CC3)C2(C)C)n1.CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CCC(C3CC3)C2(C)C)n1.CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CCC(C3CC3)C2(C)C)n1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is NRFXLLXWXLJVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H33N5O3S/c3*1-23(2,3)18-12-11-16(22(30)28-33(31,32)20-8-6-7-19(25)27-20)21(26-18)29-14-13-17(15-9-10-15)24(29,4)5/h3*6-8,11-12,15,17H,9-10,13-14H2,1-5H3,(H2,25,27)(H,28,30).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 1414.88 g/mol, XLogP of 10.47, 15 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(3-cyclopropyl-2,2-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 159861816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).