N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide

C40H46Cl2N6O6 — CID 135361409

About N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide

N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide (PubChem CID 135361409) has the molecular formula C40H46Cl2N6O6 and a molecular weight of 777.75 g/mol. Its IUPAC name is N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide
• PubChem CID: 135361409
• Molecular Formula: C40H46Cl2N6O6
• Molecular Weight: 777.75 g/mol
• Exact Mass: 776.29
• IUPAC Name: N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide
• SMILES: COc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(CN5CC(NC(C)=O)C5)cc4Cl)c3C)c2C)c(Cl)cc1CN1CC(NC(C)=O)C1
• InChI: InChI=1S/C40H46Cl2N6O6/c1-23-27(21-53-39-35(41)13-29(37(45-39)51-5)15-47-17-31(18-47)43-25(3)49)9-7-11-33(23)34-12-8-10-28(24(34)2)22-54-40-36(42)14-30(38(46-40)52-6)16-48-19-32(20-48)44-26(4)50/h7-14,31-32H,15-22H2,1-6H3,(H,43,49)(H,44,50)
• InChIKey: FNSSCNCANCONJN-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 127.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.75
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide?

The IUPAC name of N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide (CID 135361409) is N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide.

What is the SMILES notation for N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide?

The canonical SMILES for N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide is COc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(CN5CC(NC(C)=O)C5)cc4Cl)c3C)c2C)c(Cl)cc1CN1CC(NC(C)=O)C1.

What is the InChIKey of N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide?

The InChIKey is FNSSCNCANCONJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46Cl2N6O6/c1-23-27(21-53-39-35(41)13-29(37(45-39)51-5)15-47-17-31(18-47)43-25(3)49)9-7-11-33(23)34-12-8-10-28(24(34)2)22-54-40-36(42)14-30(38(46-40)52-6)16-48-19-32(20-48)44-26(4)50/h7-14,31-32H,15-22H2,1-6H3,(H,43,49)(H,44,50).

What are the key properties of N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide?

N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide has a molecular weight of 777.75 g/mol, XLogP of 5.88, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[6-[[3-[3-[[5-[(3-acetamidoazetidin-1-yl)methyl]-3-chloro-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-5-chloro-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 135361409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).