N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide

C24H29FN2O6 — CID 118652450

About N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide

N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (PubChem CID 118652450) has the molecular formula C24H29FN2O6 and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
• PubChem CID: 118652450
• Molecular Formula: C24H29FN2O6
• Molecular Weight: 460.50 g/mol
• Exact Mass: 460.20
• IUPAC Name: N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
• SMILES: CC[C@H]1OCC[C@H](NC(=O)c2nccc(OC)c2O)C(=O)O[C@@H](C)[C@@H]1Cc1ccc(F)cc1
• InChI: InChI=1S/C24H29FN2O6/c1-4-19-17(13-15-5-7-16(25)8-6-15)14(2)33-24(30)18(10-12-32-19)27-23(29)21-22(28)20(31-3)9-11-26-21/h5-9,11,14,17-19,28H,4,10,12-13H2,1-3H3,(H,27,29)/t14-,17-,18-,19+/m0/s1
• InChIKey: RLTVFKCTHOZOST-UDTPNQRGSA-N
• XLogP: 3.02
• TPSA: 106.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.50
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?

The IUPAC name of N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide (CID 118652450) is N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide.

What is the SMILES notation for N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?

The canonical SMILES for N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is CC[C@H]1OCC[C@H](NC(=O)c2nccc(OC)c2O)C(=O)O[C@@H](C)[C@@H]1Cc1ccc(F)cc1.

What is the InChIKey of N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?

The InChIKey is RLTVFKCTHOZOST-UDTPNQRGSA-N. The full InChI is InChI=1S/C24H29FN2O6/c1-4-19-17(13-15-5-7-16(25)8-6-15)14(2)33-24(30)18(10-12-32-19)27-23(29)21-22(28)20(31-3)9-11-26-21/h5-9,11,14,17-19,28H,4,10,12-13H2,1-3H3,(H,27,29)/t14-,17-,18-,19+/m0/s1.

What are the key properties of N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide?

N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S,4S,7S)-2-ethyl-3-[(4-fluorophenyl)methyl]-4-methyl-6-oxo-1,5-dioxonan-7-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 118652450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).