4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide

C31H30N4O4 — CID 134565858

About 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide

4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 134565858) has the molecular formula C31H30N4O4 and a molecular weight of 522.61 g/mol. Its IUPAC name is 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide
• PubChem CID: 134565858
• Molecular Formula: C31H30N4O4
• Molecular Weight: 522.61 g/mol
• Exact Mass: 522.23
• IUPAC Name: 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide
• SMILES: N#Cc1cc(-c2ccnc3cc(-c4ccc(C(=O)N[C@@H]5CCCNC5)cc4)oc23)ccc1OC1CCOCC1
• InChI: InChI=1S/C31H30N4O4/c32-18-23-16-22(7-8-28(23)38-25-10-14-37-15-11-25)26-9-13-34-27-17-29(39-30(26)27)20-3-5-21(6-4-20)31(36)35-24-2-1-12-33-19-24/h3-9,13,16-17,24-25,33H,1-2,10-12,14-15,19H2,(H,35,36)/t24-/m1/s1
• InChIKey: LJMBZOWXMBLIKX-XMMPIXPASA-N
• XLogP: 5.07
• TPSA: 109.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.61
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide?

The IUPAC name of 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide (CID 134565858) is 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide.

What is the SMILES notation for 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide?

The canonical SMILES for 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide is N#Cc1cc(-c2ccnc3cc(-c4ccc(C(=O)N[C@@H]5CCCNC5)cc4)oc23)ccc1OC1CCOCC1.

What is the InChIKey of 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide?

The InChIKey is LJMBZOWXMBLIKX-XMMPIXPASA-N. The full InChI is InChI=1S/C31H30N4O4/c32-18-23-16-22(7-8-28(23)38-25-10-14-37-15-11-25)26-9-13-34-27-17-29(39-30(26)27)20-3-5-21(6-4-20)31(36)35-24-2-1-12-33-19-24/h3-9,13,16-17,24-25,33H,1-2,10-12,14-15,19H2,(H,35,36)/t24-/m1/s1.

What are the key properties of 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide?

4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 522.61 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[3-cyano-4-(oxan-4-yloxy)phenyl]furo[3,2-b]pyridin-2-yl]-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 134565858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).