N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide

C23H29N3O3 — CID 71451796

About N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide

N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide (PubChem CID 71451796) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
• PubChem CID: 71451796
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
• SMILES: CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncccc21
• InChI: InChI=1S/C23H29N3O3/c1-16(27)26-19(13-17-7-3-2-4-8-17)21(28)15-25-20-14-23(10-6-11-23)29-22-18(20)9-5-12-24-22/h2-5,7-9,12,19-21,25,28H,6,10-11,13-15H2,1H3,(H,26,27)/t19-,20-,21+/m0/s1
• InChIKey: KXWWMQRXUZFAKE-PCCBWWKXSA-N
• XLogP: 2.53
• TPSA: 83.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?

The IUPAC name of N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide (CID 71451796) is N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide.

What is the SMILES notation for N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?

The canonical SMILES for N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide is CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncccc21.

What is the InChIKey of N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?

The InChIKey is KXWWMQRXUZFAKE-PCCBWWKXSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(27)26-19(13-17-7-3-2-4-8-17)21(28)15-25-20-14-23(10-6-11-23)29-22-18(20)9-5-12-24-22/h2-5,7-9,12,19-21,25,28H,6,10-11,13-15H2,1H3,(H,26,27)/t19-,20-,21+/m0/s1.

What are the key properties of N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?

N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide is sourced from PubChem (CID 71451796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).