(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide

C27H32N4O5S — CID 54024248

About (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide

(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide (PubChem CID 54024248) has the molecular formula C27H32N4O5S and a molecular weight of 524.64 g/mol. Its IUPAC name is (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide
• PubChem CID: 54024248
• Molecular Formula: C27H32N4O5S
• Molecular Weight: 524.64 g/mol
• Exact Mass: 524.21
• IUPAC Name: (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide
• SMILES: CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(C)CCc4ccncc4)cnc3OC(C)(C)[C@H]2O)cc1
• InChI: InChI=1S/C27H32N4O5S/c1-5-18-6-8-21(9-7-18)37(34,35)30-23-22-16-20(17-29-25(22)36-27(2,3)24(23)32)26(33)31(4)15-12-19-10-13-28-14-11-19/h6-11,13-14,16-17,23-24,30,32H,5,12,15H2,1-4H3/t23-,24+/m1/s1
• InChIKey: LBBFCJYRJJRMMO-RPWUZVMVSA-N
• XLogP: 2.91
• TPSA: 121.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.64
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide?

The IUPAC name of (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide (CID 54024248) is (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide.

What is the SMILES notation for (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide?

The canonical SMILES for (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide is CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(C)CCc4ccncc4)cnc3OC(C)(C)[C@H]2O)cc1.

What is the InChIKey of (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide?

The InChIKey is LBBFCJYRJJRMMO-RPWUZVMVSA-N. The full InChI is InChI=1S/C27H32N4O5S/c1-5-18-6-8-21(9-7-18)37(34,35)30-23-22-16-20(17-29-25(22)36-27(2,3)24(23)32)26(33)31(4)15-12-19-10-13-28-14-11-19/h6-11,13-14,16-17,23-24,30,32H,5,12,15H2,1-4H3/t23-,24+/m1/s1.

What are the key properties of (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide?

(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide has a molecular weight of 524.64 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-(2-pyridin-4-ylethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 54024248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).