N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

C26H23N3O2 — CID 46926655

IUPACN-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCOc1cccc(-c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)nc2)c1
InChIInChI=1S/C26H23N3O2/c1-18-14-22(12-13-27-18)20-8-6-19(7-9-20)15-26(30)29-25-11-10-23(17-28-25)21-4-3-5-24(16-21)31-2/h3-14,16-17H,15H2,1-2H3,(H,28,29,30)
InChIKeyZWGSFIMMTBGWTC-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.31
Rot. Bonds6

About N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 46926655) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID46926655
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCOc1cccc(-c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)nc2)c1
InChIInChI=1S/C26H23N3O2/c1-18-14-22(12-13-27-18)20-8-6-19(7-9-20)15-26(30)29-25-11-10-23(17-28-25)21-4-3-5-24(16-21)31-2/h3-14,16-17H,15H2,1-2H3,(H,28,29,30)
InChIKeyZWGSFIMMTBGWTC-UHFFFAOYSA-N
XLogP5.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 46926655) is N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is COc1cccc(-c2ccc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)nc2)c1.
What is the InChIKey of N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is ZWGSFIMMTBGWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-18-14-22(12-13-27-18)20-8-6-19(7-9-20)15-26(30)29-25-11-10-23(17-28-25)21-4-3-5-24(16-21)31-2/h3-14,16-17H,15H2,1-2H3,(H,28,29,30).
What are the key properties of N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 46926655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).