4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide

C23H24N4O3 — CID 170574921

About 4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide

4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 170574921) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide
• PubChem CID: 170574921
• Molecular Formula: C23H24N4O3
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.18
• IUPAC Name: 4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide
• SMILES: CN1CC[C@@](O)(c2cc(-c3cccc(-c4cc(C5CC5)cc(C(N)=O)n4)c3)no2)C1
• InChI: InChI=1S/C23H24N4O3/c1-27-8-7-23(29,13-27)21-12-19(26-30-21)16-4-2-3-15(9-16)18-10-17(14-5-6-14)11-20(25-18)22(24)28/h2-4,9-12,14,29H,5-8,13H2,1H3,(H2,24,28)/t23-/m0/s1
• InChIKey: QPRRKDPDBDBKON-QHCPKHFHSA-N
• XLogP: 2.90
• TPSA: 105.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?

The IUPAC name of 4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide (CID 170574921) is 4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide is CN1CC[C@@](O)(c2cc(-c3cccc(-c4cc(C5CC5)cc(C(N)=O)n4)c3)no2)C1.

What is the InChIKey of 4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?

The InChIKey is QPRRKDPDBDBKON-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-27-8-7-23(29,13-27)21-12-19(26-30-21)16-4-2-3-15(9-16)18-10-17(14-5-6-14)11-20(25-18)22(24)28/h2-4,9-12,14,29H,5-8,13H2,1H3,(H2,24,28)/t23-/m0/s1.

What are the key properties of 4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide?

4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 170574921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).