3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide

C28H29N5O5 — CID 123870429

About 3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide

3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide (PubChem CID 123870429) has the molecular formula C28H29N5O5 and a molecular weight of 515.57 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide
• PubChem CID: 123870429
• Molecular Formula: C28H29N5O5
• Molecular Weight: 515.57 g/mol
• Exact Mass: 515.22
• IUPAC Name: 3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide
• SMILES: COc1cc(-c2ccc(C(=O)N3CCOCC3)cn2)cc2cc(CNC(=O)CCc3ccc(N)nc3)oc12
• InChI: InChI=1S/C28H29N5O5/c1-36-24-14-20(23-5-4-19(16-30-23)28(35)33-8-10-37-11-9-33)12-21-13-22(38-27(21)24)17-32-26(34)7-3-18-2-6-25(29)31-15-18/h2,4-6,12-16H,3,7-11,17H2,1H3,(H2,29,31)(H,32,34)
• InChIKey: OHLORNAAHMMSMZ-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 132.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.57
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide?

The IUPAC name of 3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide (CID 123870429) is 3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide.

What is the SMILES notation for 3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide?

The canonical SMILES for 3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide is COc1cc(-c2ccc(C(=O)N3CCOCC3)cn2)cc2cc(CNC(=O)CCc3ccc(N)nc3)oc12.

What is the InChIKey of 3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide?

The InChIKey is OHLORNAAHMMSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O5/c1-36-24-14-20(23-5-4-19(16-30-23)28(35)33-8-10-37-11-9-33)12-21-13-22(38-27(21)24)17-32-26(34)7-3-18-2-6-25(29)31-15-18/h2,4-6,12-16H,3,7-11,17H2,1H3,(H2,29,31)(H,32,34).

What are the key properties of 3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide?

3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide has a molecular weight of 515.57 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide is sourced from PubChem (CID 123870429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).