2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide

C40H50Cl2N6O6 — CID 135360774

About 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide

2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide (PubChem CID 135360774) has the molecular formula C40H50Cl2N6O6 and a molecular weight of 781.78 g/mol. Its IUPAC name is 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide
• PubChem CID: 135360774
• Molecular Formula: C40H50Cl2N6O6
• Molecular Weight: 781.78 g/mol
• Exact Mass: 780.32
• IUPAC Name: 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide
• SMILES: COc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(CNC(C)C(=O)N(C)C)cc4Cl)c3C)c2C)c(Cl)cc1CNC(C)C(=O)N(C)C
• InChI: InChI=1S/C40H50Cl2N6O6/c1-23-27(21-53-37-33(41)17-29(35(45-37)51-9)19-43-25(3)39(49)47(5)6)13-11-15-31(23)32-16-12-14-28(24(32)2)22-54-38-34(42)18-30(36(46-38)52-10)20-44-26(4)40(50)48(7)8/h11-18,25-26,43-44H,19-22H2,1-10H3
• InChIKey: IQJBEUDQANDFKO-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 127.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.78
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide?

The IUPAC name of 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide (CID 135360774) is 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide.

What is the SMILES notation for 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide?

The canonical SMILES for 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide is COc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(CNC(C)C(=O)N(C)C)cc4Cl)c3C)c2C)c(Cl)cc1CNC(C)C(=O)N(C)C.

What is the InChIKey of 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide?

The InChIKey is IQJBEUDQANDFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H50Cl2N6O6/c1-23-27(21-53-37-33(41)17-29(35(45-37)51-9)19-43-25(3)39(49)47(5)6)13-11-15-31(23)32-16-12-14-28(24(32)2)22-54-38-34(42)18-30(36(46-38)52-10)20-44-26(4)40(50)48(7)8/h11-18,25-26,43-44H,19-22H2,1-10H3.

What are the key properties of 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide?

2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide has a molecular weight of 781.78 g/mol, XLogP of 6.38, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-chloro-6-[[3-[3-[[3-chloro-5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-3-pyridinyl]methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 135360774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).