N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C26H33N7O4S — CID 175515495

About N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515495) has the molecular formula C26H33N7O4S and a molecular weight of 539.66 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175515495
• Molecular Formula: C26H33N7O4S
• Molecular Weight: 539.66 g/mol
• Exact Mass: 539.23
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CCN(c2nc(-n3ccc(OCC4CCC4)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C1(C)C
• InChI: InChI=1S/C26H33N7O4S/c1-17-11-14-32(26(17,2)3)24-19(25(34)31-38(35,36)20-8-5-13-28-23(20)27)9-10-21(29-24)33-15-12-22(30-33)37-16-18-6-4-7-18/h5,8-10,12-13,15,17-18H,4,6-7,11,14,16H2,1-3H3,(H2,27,28)(H,31,34)
• InChIKey: OVWMYHGACDHUIJ-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 145.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.66
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515495) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2nc(-n3ccc(OCC4CCC4)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C1(C)C.

What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is OVWMYHGACDHUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O4S/c1-17-11-14-32(26(17,2)3)24-19(25(34)31-38(35,36)20-8-5-13-28-23(20)27)9-10-21(29-24)33-15-12-22(30-33)37-16-18-6-4-7-18/h5,8-10,12-13,15,17-18H,4,6-7,11,14,16H2,1-3H3,(H2,27,28)(H,31,34).

What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 539.66 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-[3-(cyclobutylmethoxy)pyrazol-1-yl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).