(2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide

C25H32N4O3 — CID 167549377

About (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide

(2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide (PubChem CID 167549377) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide
• PubChem CID: 167549377
• Molecular Formula: C25H32N4O3
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.25
• IUPAC Name: (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide
• SMILES: CC(C)N[C@H](CCc1ccccc1)C(=O)N[C@@H](C)C(=O)CCc1cc2c(N)nccc2o1
• InChI: InChI=1S/C25H32N4O3/c1-16(2)28-21(11-9-18-7-5-4-6-8-18)25(31)29-17(3)22(30)12-10-19-15-20-23(32-19)13-14-27-24(20)26/h4-8,13-17,21,28H,9-12H2,1-3H3,(H2,26,27)(H,29,31)/t17-,21+/m0/s1
• InChIKey: ZTNDDYWFBZILBR-LAUBAEHRSA-N
• XLogP: 3.42
• TPSA: 110.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide?

The IUPAC name of (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide (CID 167549377) is (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide.

What is the SMILES notation for (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide?

The canonical SMILES for (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide is CC(C)N[C@H](CCc1ccccc1)C(=O)N[C@@H](C)C(=O)CCc1cc2c(N)nccc2o1.

What is the InChIKey of (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide?

The InChIKey is ZTNDDYWFBZILBR-LAUBAEHRSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-16(2)28-21(11-9-18-7-5-4-6-8-18)25(31)29-17(3)22(30)12-10-19-15-20-23(32-19)13-14-27-24(20)26/h4-8,13-17,21,28H,9-12H2,1-3H3,(H2,26,27)(H,29,31)/t17-,21+/m0/s1.

What are the key properties of (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide?

(2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide has a molecular weight of 436.56 g/mol, XLogP of 3.42, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-5-(4-aminofuro[3,2-c]pyridin-2-yl)-3-oxopentan-2-yl]-4-phenyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 167549377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).