N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(2-methylpropyl)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C25H33N7O3S — CID 121250937

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(2-methylpropyl)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(2-methylpropyl)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121250937) has the molecular formula C25H33N7O3S and a molecular weight of 511.65 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(2-methylpropyl)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(2-methylpropyl)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 121250937
• Molecular Formula: C25H33N7O3S
• Molecular Weight: 511.65 g/mol
• Exact Mass: 511.24
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(2-methylpropyl)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: CC(C)Cc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)n1
• InChI: InChI=1S/C25H33N7O3S/c1-16(2)13-18-11-12-32(29-18)21-10-9-19(23(28-21)31-15-17(3)14-25(31,4)5)24(33)30-36(34,35)22-8-6-7-20(26)27-22/h6-12,16-17H,13-15H2,1-5H3,(H2,26,27)(H,30,33)/t17-/m0/s1
• InChIKey: AOVXIYKKIYZOAW-KRWDZBQOSA-N
• XLogP: 3.19
• TPSA: 136.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.65
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(2-methylpropyl)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121250937) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(2-methylpropyl)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(2-methylpropyl)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)Cc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)n1.

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

The InChIKey is AOVXIYKKIYZOAW-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H33N7O3S/c1-16(2)13-18-11-12-32(29-18)21-10-9-19(23(28-21)31-15-17(3)14-25(31,4)5)24(33)30-36(34,35)22-8-6-7-20(26)27-22/h6-12,16-17H,13-15H2,1-5H3,(H2,26,27)(H,30,33)/t17-/m0/s1.

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(2-methylpropyl)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 511.65 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(2-methylpropyl)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121250937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).