2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide

C24H27N5O3 — CID 95813466

About 2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide

2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide (PubChem CID 95813466) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
• PubChem CID: 95813466
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: 2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
• SMILES: COc1cc(CN2CCC[C@@H]2c2ccc(Nc3ccccn3)cn2)ccc1OCC(N)=O
• InChI: InChI=1S/C24H27N5O3/c1-31-22-13-17(7-10-21(22)32-16-23(25)30)15-29-12-4-5-20(29)19-9-8-18(14-27-19)28-24-6-2-3-11-26-24/h2-3,6-11,13-14,20H,4-5,12,15-16H2,1H3,(H2,25,30)(H,26,28)/t20-/m1/s1
• InChIKey: LQGUASJFCWMEIE-HXUWFJFHSA-N
• XLogP: 3.43
• TPSA: 102.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide?

The IUPAC name of 2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide (CID 95813466) is 2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide.

What is the SMILES notation for 2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide?

The canonical SMILES for 2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide is COc1cc(CN2CCC[C@@H]2c2ccc(Nc3ccccn3)cn2)ccc1OCC(N)=O.

What is the InChIKey of 2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide?

The InChIKey is LQGUASJFCWMEIE-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-31-22-13-17(7-10-21(22)32-16-23(25)30)15-29-12-4-5-20(29)19-9-8-18(14-27-19)28-24-6-2-3-11-26-24/h2-3,6-11,13-14,20H,4-5,12,15-16H2,1H3,(H2,25,30)(H,26,28)/t20-/m1/s1.

What are the key properties of 2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide?

2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 433.51 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 95813466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).