4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C25H33N5O3S — CID 139451031

About 4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 139451031) has the molecular formula C25H33N5O3S and a molecular weight of 483.64 g/mol. Its IUPAC name is 4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 139451031
• Molecular Formula: C25H33N5O3S
• Molecular Weight: 483.64 g/mol
• Exact Mass: 483.23
• IUPAC Name: 4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: C[C@@H]1CN(c2nc(C3CC4CCC3C4)cc(S(=O)(=O)c3cccc(N)n3)c2C(N)=O)C(C)(C)C1
• InChI: InChI=1S/C25H33N5O3S/c1-14-12-25(2,3)30(13-14)24-22(23(27)31)19(34(32,33)21-6-4-5-20(26)29-21)11-18(28-24)17-10-15-7-8-16(17)9-15/h4-6,11,14-17H,7-10,12-13H2,1-3H3,(H2,26,29)(H2,27,31)/t14-,15?,16?,17?/m0/s1
• InChIKey: JNTYNDMAOSPYBF-HERJZLIOSA-N
• XLogP: 3.52
• TPSA: 132.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.64
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 139451031) is 4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(C3CC4CCC3C4)cc(S(=O)(=O)c3cccc(N)n3)c2C(N)=O)C(C)(C)C1.

What is the InChIKey of 4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is JNTYNDMAOSPYBF-HERJZLIOSA-N. The full InChI is InChI=1S/C25H33N5O3S/c1-14-12-25(2,3)30(13-14)24-22(23(27)31)19(34(32,33)21-6-4-5-20(26)29-21)11-18(28-24)17-10-15-7-8-16(17)9-15/h4-6,11,14-17H,7-10,12-13H2,1-3H3,(H2,26,29)(H2,27,31)/t14-,15?,16?,17?/m0/s1.

What are the key properties of 4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 483.64 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 139451031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).