(6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone

C25H24N4O3 — CID 110252201

About (6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone

(6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 110252201) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is (6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
• PubChem CID: 110252201
• Molecular Formula: C25H24N4O3
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.18
• IUPAC Name: (6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
• SMILES: COc1ccc2c(c1)C=C(C(=O)N1CCCC1c1ccc(Nc3ccccn3)cn1)CO2
• InChI: InChI=1S/C25H24N4O3/c1-31-20-8-10-23-17(14-20)13-18(16-32-23)25(30)29-12-4-5-22(29)21-9-7-19(15-27-21)28-24-6-2-3-11-26-24/h2-3,6-11,13-15,22H,4-5,12,16H2,1H3,(H,26,28)
• InChIKey: SEUIMHVNFWCUFC-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?

The IUPAC name of (6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 110252201) is (6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for (6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone is COc1ccc2c(c1)C=C(C(=O)N1CCCC1c1ccc(Nc3ccccn3)cn1)CO2.

What is the InChIKey of (6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?

The InChIKey is SEUIMHVNFWCUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-31-20-8-10-23-17(14-20)13-18(16-32-23)25(30)29-12-4-5-22(29)21-9-7-19(15-27-21)28-24-6-2-3-11-26-24/h2-3,6-11,13-15,22H,4-5,12,16H2,1H3,(H,26,28).

What are the key properties of (6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone?

(6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 428.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methoxy-2H-chromen-3-yl)-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110252201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).