3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide

C24H24N6O3 — CID 59680416

About 3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide

3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide (PubChem CID 59680416) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide
• PubChem CID: 59680416
• Molecular Formula: C24H24N6O3
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.19
• IUPAC Name: 3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide
• SMILES: COc1cc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccn2)ccc1CN1CCNCC1
• InChI: InChI=1S/C24H24N6O3/c1-32-20-13-16(4-5-18(20)15-30-11-9-25-10-12-30)23(31)28-21-14-17(6-8-26-21)24-29-22-19(33-24)3-2-7-27-22/h2-8,13-14,25H,9-12,15H2,1H3,(H,26,28,31)
• InChIKey: GFHVNHBUSKZECN-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 105.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide?

The IUPAC name of 3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide (CID 59680416) is 3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide.

What is the SMILES notation for 3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide?

The canonical SMILES for 3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide is COc1cc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccn2)ccc1CN1CCNCC1.

What is the InChIKey of 3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide?

The InChIKey is GFHVNHBUSKZECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-32-20-13-16(4-5-18(20)15-30-11-9-25-10-12-30)23(31)28-21-14-17(6-8-26-21)24-29-22-19(33-24)3-2-7-27-22/h2-8,13-14,25H,9-12,15H2,1H3,(H,26,28,31).

What are the key properties of 3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide?

3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide has a molecular weight of 444.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)benzamide is sourced from PubChem (CID 59680416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).