N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide

C40H46Cl2N6O4 — CID 146206930

IUPACN-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CCC(NC(C)=O)CC5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CCC(NC(C)=O)CC1
InChIInChI=1S/C40H46Cl2N6O4/c1-25(49)43-29-15-19-47(20-16-29)23-27-11-13-35(45-39(27)51-3)33-9-5-7-31(37(33)41)32-8-6-10-34(38(32)42)36-14-12-28(40(46-36)52-4)24-48-21-17-30(18-22-48)44-26(2)50/h5-14,29-30H,15-24H2,1-4H3,(H,43,49)(H,44,50)
InChIKeyVXRSYVMYUIEHNT-UHFFFAOYSA-N
MW745.75 g/mol
LogP7.00
Rot. Bonds11

About N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide

N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide (PubChem CID 146206930) has the molecular formula C40H46Cl2N6O4 and a molecular weight of 745.75 g/mol. Its IUPAC name is N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide
PubChem CID146206930
Molecular FormulaC40H46Cl2N6O4
Molecular Weight745.75 g/mol
Exact Mass744.30
IUPAC NameN-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CCC(NC(C)=O)CC5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CCC(NC(C)=O)CC1
InChIInChI=1S/C40H46Cl2N6O4/c1-25(49)43-29-15-19-47(20-16-29)23-27-11-13-35(45-39(27)51-3)33-9-5-7-31(37(33)41)32-8-6-10-34(38(32)42)36-14-12-28(40(46-36)52-4)24-48-21-17-30(18-22-48)44-26(2)50/h5-14,29-30H,15-24H2,1-4H3,(H,43,49)(H,44,50)
InChIKeyVXRSYVMYUIEHNT-UHFFFAOYSA-N
XLogP7.00
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.75
LogP ≤ 57.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide (CID 146206930) is N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide is COc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CCC(NC(C)=O)CC5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CCC(NC(C)=O)CC1.
What is the InChIKey of N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is VXRSYVMYUIEHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46Cl2N6O4/c1-25(49)43-29-15-19-47(20-16-29)23-27-11-13-35(45-39(27)51-3)33-9-5-7-31(37(33)41)32-8-6-10-34(38(32)42)36-14-12-28(40(46-36)52-4)24-48-21-17-30(18-22-48)44-26(2)50/h5-14,29-30H,15-24H2,1-4H3,(H,43,49)(H,44,50).
What are the key properties of N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide?
N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 745.75 g/mol, XLogP of 7.00, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-[3-[3-[5-[(4-acetamidopiperidin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 146206930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).