1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide

C37H47N3O4 — CID 58940888

About 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide

1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide (PubChem CID 58940888) has the molecular formula C37H47N3O4 and a molecular weight of 597.80 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide
• PubChem CID: 58940888
• Molecular Formula: C37H47N3O4
• Molecular Weight: 597.80 g/mol
• Exact Mass: 597.36
• IUPAC Name: 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide
• SMILES: CC(C)c1ccc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(=O)n(C3CCCC3)c1)CC1(CCCC1)O2
• InChI: InChI=1S/C37H47N3O4/c1-25(2)27-14-16-34-30(21-27)32(22-37(44-34)18-8-9-19-37)38-23-33(41)31(20-26-10-4-3-5-11-26)39-36(43)28-15-17-35(42)40(24-28)29-12-6-7-13-29/h3-5,10-11,14-17,21,24-25,29,31-33,38,41H,6-9,12-13,18-20,22-23H2,1-2H3,(H,39,43)/t31-,32-,33+/m0/s1
• InChIKey: UXNNTUVESUKZCZ-XFCANUNOSA-N
• XLogP: 6.22
• TPSA: 92.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.80
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide?

The IUPAC name of 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide (CID 58940888) is 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide?

The canonical SMILES for 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide is CC(C)c1ccc2c(c1)[C@@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccc(=O)n(C3CCCC3)c1)CC1(CCCC1)O2.

What is the InChIKey of 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide?

The InChIKey is UXNNTUVESUKZCZ-XFCANUNOSA-N. The full InChI is InChI=1S/C37H47N3O4/c1-25(2)27-14-16-34-30(21-27)32(22-37(44-34)18-8-9-19-37)38-23-33(41)31(20-26-10-4-3-5-11-26)39-36(43)28-15-17-35(42)40(24-28)29-12-6-7-13-29/h3-5,10-11,14-17,21,24-25,29,31-33,38,41H,6-9,12-13,18-20,22-23H2,1-2H3,(H,39,43)/t31-,32-,33+/m0/s1.

What are the key properties of 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide?

1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide has a molecular weight of 597.80 g/mol, XLogP of 6.22, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 58940888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).