4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

C21H21F5N4O4 — CID 169046865

About 4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 169046865) has the molecular formula C21H21F5N4O4 and a molecular weight of 488.41 g/mol. Its IUPAC name is 4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
• PubChem CID: 169046865
• Molecular Formula: C21H21F5N4O4
• Molecular Weight: 488.41 g/mol
• Exact Mass: 488.15
• IUPAC Name: 4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
• SMILES: COc1nc(C(F)F)ccc1[C@@H]1[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@](C)(C(F)(F)F)[C@H]1C
• InChI: InChI=1S/C21H21F5N4O4/c1-9-14(11-4-5-12(16(22)23)30-19(11)33-3)15(34-20(9,2)21(24,25)26)18(32)29-10-6-7-28-13(8-10)17(27)31/h4-9,14-16H,1-3H3,(H2,27,31)(H,28,29,32)/t9-,14+,15+,20-/m0/s1
• InChIKey: YGECYAWEFXYTNB-XLVDMSRESA-N
• XLogP: 3.60
• TPSA: 116.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.41
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

The IUPAC name of 4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (CID 169046865) is 4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is COc1nc(C(F)F)ccc1[C@@H]1[C@H](C(=O)Nc2ccnc(C(N)=O)c2)O[C@](C)(C(F)(F)F)[C@H]1C.

What is the InChIKey of 4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

The InChIKey is YGECYAWEFXYTNB-XLVDMSRESA-N. The full InChI is InChI=1S/C21H21F5N4O4/c1-9-14(11-4-5-12(16(22)23)30-19(11)33-3)15(34-20(9,2)21(24,25)26)18(32)29-10-6-7-28-13(8-10)17(27)31/h4-9,14-16H,1-3H3,(H2,27,31)(H,28,29,32)/t9-,14+,15+,20-/m0/s1.

What are the key properties of 4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 488.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2R,3R,4S,5S)-3-[6-(difluoromethyl)-2-methoxy-3-pyridinyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 169046865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).