naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate

C30H32N4O5 — CID 68890953

About naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate

naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate (PubChem CID 68890953) has the molecular formula C30H32N4O5 and a molecular weight of 528.61 g/mol. Its IUPAC name is naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate.

Molecular Properties

• Compound Name: naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate
• PubChem CID: 68890953
• Molecular Formula: C30H32N4O5
• Molecular Weight: 528.61 g/mol
• Exact Mass: 528.24
• IUPAC Name: naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate
• SMILES: CC(C)CC(NC(=O)Oc1ccc2ccccc2c1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1
• InChI: InChI=1S/C30H32N4O5/c1-19(2)14-24(32-30(38)39-23-10-9-21-7-3-4-8-22(21)16-23)29(37)33-13-11-25-28(33)26(35)18-34(25)27(36)15-20-6-5-12-31-17-20/h3-10,12,16-17,19,24-25,28H,11,13-15,18H2,1-2H3,(H,32,38)
• InChIKey: ZFOFNIHIBYEJMY-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 108.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.61
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate?

The IUPAC name of naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate (CID 68890953) is naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate.

What is the SMILES notation for naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate?

The canonical SMILES for naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate is CC(C)CC(NC(=O)Oc1ccc2ccccc2c1)C(=O)N1CCC2C1C(=O)CN2C(=O)Cc1cccnc1.

What is the InChIKey of naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate?

The InChIKey is ZFOFNIHIBYEJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O5/c1-19(2)14-24(32-30(38)39-23-10-9-21-7-3-4-8-22(21)16-23)29(37)33-13-11-25-28(33)26(35)18-34(25)27(36)15-20-6-5-12-31-17-20/h3-10,12,16-17,19,24-25,28H,11,13-15,18H2,1-2H3,(H,32,38).

What are the key properties of naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate?

naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate has a molecular weight of 528.61 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for naphthalen-2-yl N-[4-methyl-1-oxo-1-[6-oxo-4-(2-pyridin-3-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]carbamate is sourced from PubChem (CID 68890953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).