N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C26H31N5O5S — CID 121250870

About N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121250870) has the molecular formula C26H31N5O5S and a molecular weight of 525.63 g/mol. Its IUPAC name is N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 121250870
• Molecular Formula: C26H31N5O5S
• Molecular Weight: 525.63 g/mol
• Exact Mass: 525.20
• IUPAC Name: N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3C[C@@H](C)CC3(C)C)n2)cn1
• InChI: InChI=1S/C26H31N5O5S/c1-16(2)36-22-11-8-18(14-28-22)20-10-9-19(23(29-20)31-15-17(3)13-26(31,4)5)24(32)30-37(34,35)21-7-6-12-27-25(21)33/h6-12,14,16-17H,13,15H2,1-5H3,(H,27,33)(H,30,32)/t17-/m0/s1
• InChIKey: FSWUAWIPSMJNCD-KRWDZBQOSA-N
• XLogP: 3.36
• TPSA: 134.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.63
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121250870) is N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3C[C@@H](C)CC3(C)C)n2)cn1.

What is the InChIKey of N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is FSWUAWIPSMJNCD-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H31N5O5S/c1-16(2)36-22-11-8-18(14-28-22)20-10-9-19(23(29-20)31-15-17(3)13-26(31,4)5)24(32)30-37(34,35)21-7-6-12-27-25(21)33/h6-12,14,16-17H,13,15H2,1-5H3,(H,27,33)(H,30,32)/t17-/m0/s1.

What are the key properties of N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 525.63 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121250870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).