4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide

C26H36FN5O2 — CID 58440288

About 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide

4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 58440288) has the molecular formula C26H36FN5O2 and a molecular weight of 469.61 g/mol. Its IUPAC name is 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide
• PubChem CID: 58440288
• Molecular Formula: C26H36FN5O2
• Molecular Weight: 469.61 g/mol
• Exact Mass: 469.29
• IUPAC Name: 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide
• SMILES: COC1CCN(CCc2ccc(Cc3cc(N[C@@H]4CCNC[C@@H]4F)c(C(N)=O)cn3)cc2)CC1
• InChI: InChI=1S/C26H36FN5O2/c1-34-21-8-12-32(13-9-21)11-7-18-2-4-19(5-3-18)14-20-15-25(22(16-30-20)26(28)33)31-24-6-10-29-17-23(24)27/h2-5,15-16,21,23-24,29H,6-14,17H2,1H3,(H2,28,33)(H,30,31)/t23-,24+/m0/s1
• InChIKey: VPBSQOSZSZVYEB-BJKOFHAPSA-N
• XLogP: 2.54
• TPSA: 92.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.61
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide?

The IUPAC name of 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide (CID 58440288) is 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide?

The canonical SMILES for 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide is COC1CCN(CCc2ccc(Cc3cc(N[C@@H]4CCNC[C@@H]4F)c(C(N)=O)cn3)cc2)CC1.

What is the InChIKey of 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide?

The InChIKey is VPBSQOSZSZVYEB-BJKOFHAPSA-N. The full InChI is InChI=1S/C26H36FN5O2/c1-34-21-8-12-32(13-9-21)11-7-18-2-4-19(5-3-18)14-20-15-25(22(16-30-20)26(28)33)31-24-6-10-29-17-23(24)27/h2-5,15-16,21,23-24,29H,6-14,17H2,1H3,(H2,28,33)(H,30,31)/t23-,24+/m0/s1.

What are the key properties of 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide?

4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 2.54, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-6-[[4-[2-(4-methoxypiperidin-1-yl)ethyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 58440288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).