N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C34H39ClF2N4O10P2 — CID 155006613

About N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 155006613) has the molecular formula C34H39ClF2N4O10P2 and a molecular weight of 799.10 g/mol. Its IUPAC name is N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 155006613
• Molecular Formula: C34H39ClF2N4O10P2
• Molecular Weight: 799.10 g/mol
• Exact Mass: 798.18
• IUPAC Name: N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• SMILES: CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(NC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)c2Cl)c(F)c1
• InChI: InChI=1S/C34H39ClF2N4O10P2/c1-6-46-27-18-20-41(24-14-11-22(36)12-15-24)33(43)29(27)32(42)39-23-13-16-26(25(37)21-23)51-28-17-19-38-31(30(28)35)40-34(52(44,47-7-2)48-8-3)53(45,49-9-4)50-10-5/h11-21,34H,6-10H2,1-5H3,(H,38,40)(H,39,42)
• InChIKey: PMZJYKRAKBUUGA-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 165.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	799.10
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 155006613) is N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc(NC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)c2Cl)c(F)c1.

What is the InChIKey of N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The InChIKey is PMZJYKRAKBUUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39ClF2N4O10P2/c1-6-46-27-18-20-41(24-14-11-22(36)12-15-24)33(43)29(27)32(42)39-23-13-16-26(25(37)21-23)51-28-17-19-38-31(30(28)35)40-34(52(44,47-7-2)48-8-3)53(45,49-9-4)50-10-5/h11-21,34H,6-10H2,1-5H3,(H,38,40)(H,39,42).

What are the key properties of N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 799.10 g/mol, XLogP of 8.84, 19 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-[bis(diethoxyphosphoryl)methylamino]-3-chloro-4-pyridinyl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 155006613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).