4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide

C24H24N6O2 — CID 166901154

About 4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide

4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide (PubChem CID 166901154) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide
• PubChem CID: 166901154
• Molecular Formula: C24H24N6O2
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.20
• IUPAC Name: 4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide
• SMILES: CNc1cnc(N2CCC(NC(=O)c3ccc(-c4nccc5occc45)cc3)CC2)nc1
• InChI: InChI=1S/C24H24N6O2/c1-25-19-14-27-24(28-15-19)30-11-7-18(8-12-30)29-23(31)17-4-2-16(3-5-17)22-20-9-13-32-21(20)6-10-26-22/h2-6,9-10,13-15,18,25H,7-8,11-12H2,1H3,(H,29,31)
• InChIKey: ULMKTRFONHJUDV-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 96.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide?

The IUPAC name of 4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide (CID 166901154) is 4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide.

What is the SMILES notation for 4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide?

The canonical SMILES for 4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide is CNc1cnc(N2CCC(NC(=O)c3ccc(-c4nccc5occc45)cc3)CC2)nc1.

What is the InChIKey of 4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide?

The InChIKey is ULMKTRFONHJUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-25-19-14-27-24(28-15-19)30-11-7-18(8-12-30)29-23(31)17-4-2-16(3-5-17)22-20-9-13-32-21(20)6-10-26-22/h2-6,9-10,13-15,18,25H,7-8,11-12H2,1H3,(H,29,31).

What are the key properties of 4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide?

4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide has a molecular weight of 428.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-furo[3,2-c]pyridin-4-yl-N-[1-[5-(methylamino)pyrimidin-2-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 166901154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).