2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide

C52H54N6O5 — CID 69016537

About 2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide

2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide (PubChem CID 69016537) has the molecular formula C52H54N6O5 and a molecular weight of 843.04 g/mol. Its IUPAC name is 2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

• Compound Name: 2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide
• PubChem CID: 69016537
• Molecular Formula: C52H54N6O5
• Molecular Weight: 843.04 g/mol
• Exact Mass: 842.42
• IUPAC Name: 2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide
• SMILES: NC(=O)C(c1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)nc1)(N1CCCC1)N(CCN1CCCC1)c1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)nc1
• InChI: InChI=1S/C52H54N6O5/c53-51(59)52(57-29-9-10-30-57,41-17-25-49(54-35-41)60-43-19-23-47-39(33-43)15-21-45(62-47)37-11-3-1-4-12-37)58(32-31-56-27-7-8-28-56)42-18-26-50(55-36-42)61-44-20-24-48-40(34-44)16-22-46(63-48)38-13-5-2-6-14-38/h1-6,11-14,17-20,23-26,33-36,45-46H,7-10,15-16,21-22,27-32H2,(H2,53,59)
• InChIKey: OKGLEBKPCXMXFJ-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 115.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.04
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide?

The IUPAC name of 2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide (CID 69016537) is 2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide.

What is the SMILES notation for 2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide?

The canonical SMILES for 2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide is NC(=O)C(c1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)nc1)(N1CCCC1)N(CCN1CCCC1)c1ccc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)nc1.

What is the InChIKey of 2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide?

The InChIKey is OKGLEBKPCXMXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H54N6O5/c53-51(59)52(57-29-9-10-30-57,41-17-25-49(54-35-41)60-43-19-23-47-39(33-43)15-21-45(62-47)37-11-3-1-4-12-37)58(32-31-56-27-7-8-28-56)42-18-26-50(55-36-42)61-44-20-24-48-40(34-44)16-22-46(63-48)38-13-5-2-6-14-38/h1-6,11-14,17-20,23-26,33-36,45-46H,7-10,15-16,21-22,27-32H2,(H2,53,59).

What are the key properties of 2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide?

2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide has a molecular weight of 843.04 g/mol, XLogP of 9.53, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-2-[[6-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-3-pyridinyl]-(2-pyrrolidin-1-ylethyl)amino]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 69016537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).