1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide

C28H29N3O3 — CID 46463462

About 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 46463462) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide
• PubChem CID: 46463462
• Molecular Formula: C28H29N3O3
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.22
• IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide
• SMILES: CC(NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccc(OCc2cccnc2)cc1
• InChI: InChI=1S/C28H29N3O3/c1-19(21-8-11-26(12-9-21)34-18-20-4-3-13-29-16-20)30-28(33)24-15-27(32)31(17-24)25-10-7-22-5-2-6-23(22)14-25/h3-4,7-14,16,19,24H,2,5-6,15,17-18H2,1H3,(H,30,33)
• InChIKey: BXKGDFVTMZYKHG-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide?

The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide (CID 46463462) is 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide is CC(NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccc(OCc2cccnc2)cc1.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide?

The InChIKey is BXKGDFVTMZYKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-19(21-8-11-26(12-9-21)34-18-20-4-3-13-29-16-20)30-28(33)24-15-27(32)31(17-24)25-10-7-22-5-2-6-23(22)14-25/h3-4,7-14,16,19,24H,2,5-6,15,17-18H2,1H3,(H,30,33).

What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide?

1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 46463462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).