N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide

C25H30ClFN6O4 — CID 142269855

About N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide

N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide (PubChem CID 142269855) has the molecular formula C25H30ClFN6O4 and a molecular weight of 533.00 g/mol. Its IUPAC name is N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide.

Molecular Properties

• Compound Name: N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide
• PubChem CID: 142269855
• Molecular Formula: C25H30ClFN6O4
• Molecular Weight: 533.00 g/mol
• Exact Mass: 532.20
• IUPAC Name: N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide
• SMILES: CCOc1cc(Cl)c(CNC2CCN(CC(O)c3ccnc4ccc(OC)nc34)CC2F)nc1NC=O
• InChI: InChI=1S/C25H30ClFN6O4/c1-3-37-22-10-16(26)20(31-25(22)30-14-34)11-29-18-7-9-33(12-17(18)27)13-21(35)15-6-8-28-19-4-5-23(36-2)32-24(15)19/h4-6,8,10,14,17-18,21,29,35H,3,7,9,11-13H2,1-2H3,(H,30,31,34)
• InChIKey: VOYKOOBHCBJOOY-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 121.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.00
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide?

The IUPAC name of N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide (CID 142269855) is N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide.

What is the SMILES notation for N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide?

The canonical SMILES for N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide is CCOc1cc(Cl)c(CNC2CCN(CC(O)c3ccnc4ccc(OC)nc34)CC2F)nc1NC=O.

What is the InChIKey of N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide?

The InChIKey is VOYKOOBHCBJOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClFN6O4/c1-3-37-22-10-16(26)20(31-25(22)30-14-34)11-29-18-7-9-33(12-17(18)27)13-21(35)15-6-8-28-19-4-5-23(36-2)32-24(15)19/h4-6,8,10,14,17-18,21,29,35H,3,7,9,11-13H2,1-2H3,(H,30,31,34).

What are the key properties of N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide?

N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide has a molecular weight of 533.00 g/mol, XLogP of 2.89, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-3-ethoxy-6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-pyridinyl]formamide is sourced from PubChem (CID 142269855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).