[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone

C26H28N4O3 — CID 92615489

About [4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone

[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone (PubChem CID 92615489) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is [4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone.

Molecular Properties

• Compound Name: [4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
• PubChem CID: 92615489
• Molecular Formula: C26H28N4O3
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.22
• IUPAC Name: [4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
• SMILES: COc1ccc2c(c1)C[C@@H](C(=O)N1CCC(c3ccc(-c4ccc(N)nc4)cn3)CC1)CO2
• InChI: InChI=1S/C26H28N4O3/c1-32-22-4-6-24-20(13-22)12-21(16-33-24)26(31)30-10-8-17(9-11-30)23-5-2-18(14-28-23)19-3-7-25(27)29-15-19/h2-7,13-15,17,21H,8-12,16H2,1H3,(H2,27,29)/t21-/m1/s1
• InChIKey: QGBKCSARWWJKDF-OAQYLSRUSA-N
• XLogP: 3.69
• TPSA: 90.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?

The IUPAC name of [4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone (CID 92615489) is [4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone.

What is the SMILES notation for [4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?

The canonical SMILES for [4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone is COc1ccc2c(c1)C[C@@H](C(=O)N1CCC(c3ccc(-c4ccc(N)nc4)cn3)CC1)CO2.

What is the InChIKey of [4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?

The InChIKey is QGBKCSARWWJKDF-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-32-22-4-6-24-20(13-22)12-21(16-33-24)26(31)30-10-8-17(9-11-30)23-5-2-18(14-28-23)19-3-7-25(27)29-15-19/h2-7,13-15,17,21H,8-12,16H2,1H3,(H2,27,29)/t21-/m1/s1.

What are the key properties of [4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?

[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone has a molecular weight of 444.54 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone is sourced from PubChem (CID 92615489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).